Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03680816
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
PRR | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.76 | |
AG1 | RUTHENIUM PYRIDOCARBAZOLE | A,B | 2JLD | 0.71 | |
SU1 | 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL- 2-YL)METHYLENE]-2-INDOLINONE | A,B | 1FGI | 0.77 | |
FOL | FOLIC ACID | A | 1PJ6 | 0.71 | |
FOL | FOLIC ACID | A,B | 1RD7 | 0.71 | |
FOL | FOLIC ACID | A,B | 1DHF | 0.71 | |
FOL | FOLIC ACID | A,B,C,D,E | 1QZF | 0.71 | |
FOL | FOLIC ACID | A | 4CD2 | 0.71 | |
FOL | FOLIC ACID | A | 1RX7 | 0.71 | |
FOL | FOLIC ACID | A | 1RX2 | 0.71 | |
FOL | FOLIC ACID | A | 1RX8 | 0.71 | |
FOL | FOLIC ACID | A | 1RA2 | 0.71 | |
FOL | FOLIC ACID | A,B | 1RE7 | 0.71 | |
FOL | FOLIC ACID | A | 7DFR | 0.71 | |
FOL | FOLIC ACID | A | 1VIF | 0.71 | |
FOL | FOLIC ACID | A,B | 1RB2 | 0.71 | |
FOL | FOLIC ACID | A | 1CD2 | 0.71 | |
FOL | FOLIC ACID | A | 2CD2 | 0.71 | |
FOL | FOLIC ACID | A,B | 1DYI | 0.71 | |
FOL | FOLIC ACID | A | 1DRF | 0.71 | |
FOL | FOLIC ACID | A,B,C,D | 3BMC | 0.71 | |
FOL | FOLIC ACID | A,B | 2D0K | 0.71 | |
FOL | FOLIC ACID | A | 1RA8 | 0.71 | |
PPX | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.76 | |
2S8 | (2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid | B | 3C6N | 0.76 | |
CRR | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID | A | 2Z3U | 0.71 | |
PEB | PHYCOERYTHROBILIN | A,B | 1PHN | 0.74 | |
PEB | PHYCOERYTHROBILIN | A,B,C,D | 1QGW | 0.74 | |
PEB | PHYCOERYTHROBILIN | A,B,C,D | 1XG0 | 0.74 | |
PEB | PHYCOERYTHROBILIN | A,B,C,D,E,F, K,L,M,N,O,P | 2BV8 | 0.74 | |
PEB | PHYCOERYTHROBILIN | A,B,C,D | 2VJH | 0.74 | |
PEB | PHYCOERYTHROBILIN | A,B,K,L,M,N | 1F99 | 0.74 | |
PEB | PHYCOERYTHROBILIN | A,B,K,L | 1B8D | 0.74 | |
PEB | PHYCOERYTHROBILIN | A,B,C,D | 1XF6 | 0.74 | |
ITR | IMINO-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.72 | |
062 | 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL- L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N- OXIDE | A,B | 1ZRB | 0.72 | |
IAD | N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID | A,B | 1K3U | 0.77 | |
TRF | N1-FORMYL-TRYPTOPHAN | A,B | 1VRK | 0.76 | |
TRF | N1-FORMYL-TRYPTOPHAN | A,B,C,D | 1QS7 | 0.76 | |
A76 | N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY- 4-[3-METHYL-2-(3-METHYL-3-PYRIDIN- 2-YLMETHYL-UREIDO)-BUTYRYLAMINO]- 5-PHENYL-PENTYL}-3-METHYL-2-(3- METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)- BUTYRAMIDE | B | 1HVL | 0.73 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1Q | 0.74 | |
IAC | 1H-INDOL-3-YLACETIC ACID | A | 2OYF | 0.74 | |
IAC | 1H-INDOL-3-YLACETIC ACID | A,B | 3FVU | 0.74 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1P | 0.74 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.73 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.79 | |
C80 | (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1- BENZYL-1H-INDOLE-3-CARBOXYLATE | C,O | 2V11 | 0.71 | |
BTR | 6-BROMO-TRYPTOPHAN | A | 1WCT | 0.7 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.71 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.71 | |
3IO | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | A,B,C,D | 1XES | 0.72 | |
3IO | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | B,C,D | 1XET | 0.72 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.71 | |
CO9 | 1-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL- 4-YL}CARBONYL)-L-PROLYL-L-TRYPTOPHAN | A | 2OPY | 0.71 | |
GPB | N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3- D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID | A | 1E26 | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | B,C,D,F,G,H, J,K,L,N,O,P | 2GC4 | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | A,B,H,L,M | 2J55 | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | D,H | 2Q7Q | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | A,G | 1JMZ | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | B,C,E,G,I | 2H47 | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MG2 | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | B,D,F,H,J,L, N,P | 2GC7 | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | D,H | 2OJY | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | D,H | 2IUP | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | D,H | 2AGX | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | A,D,H | 2HJ4 | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | D,H | 2HKR | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | D,H | 2AGZ | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | B,C,E,F | 2H3X | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | A,B,D,H | 2IUQ | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | A,G | 1JMX | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | A,D,H | 2HJB | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | A,C,H,L | 2MTA | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | A,D,H | 2OIZ | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | A,B,L,M | 3C75 | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | D,H | 2AH0 | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | A,B,C | 1JJU | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | A,B,L,M | 1MDA | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | D,H | 2HKM | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | D,H | 2AGY | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | L,M | 2BBK | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | L | 2MAD | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | D,H | 2AGL | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | B,C,E | 2IAA | 0.71 | |
TRQ | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID | D,H | 2AH1 | 0.71 | |
2S3 | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.75 | |
2AH | B | 2CEM | 0.74 | ||
A79 | N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY- 4-[3-METHYL-2-(3-METHYL-3-PYRIDIN- 2-YLMETHYL-UREIDO)-BUTYRYLAMINO]- 5-PHENYL-PENTYL}-3-METHYL-2-(3- METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)- BUTYRAMIDE | A | 1HVC | 0.73 | |
A79 | N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY- 4-[3-METHYL-2-(3-METHYL-3-PYRIDIN- 2-YLMETHYL-UREIDO)-BUTYRYLAMINO]- 5-PHENYL-PENTYL}-3-METHYL-2-(3- METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)- BUTYRAMIDE | A | 1HVK | 0.73 | |
NA9 | N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE | H,P | 2A2X | 0.8 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMW | 0.71 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3D1Y | 0.71 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMY | 0.71 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3CYX | 0.71 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NNP | 0.71 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | B | 1C6Z | 0.71 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NNK | 0.71 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A | 1FB7 | 0.71 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMZ | 0.71 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3D1X | 0.71 | |
IAV | N-[1H-INDOL-3-YL-ACETYL]VALINE ACID | A,B | 1K7F | 0.77 | |
PAT | ALPHA-PHOSPHONO-TRYPTOPHAN | A,B | 1I73 | 0.72 | |
A78 | N-{1-BENZYL-3-HYDROXY-4-[3-METHYL- 2-(3-METHYL-3-PYRIDIN-2-YLMETHYL- UREIDO)-BUTYRYLAMINO]-5-PHENYL- PENTYL}-3-METHYL-2-(3-METHYL-3- PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | A | 1HVJ | 0.73 | |
DR7 | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)- 8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)- 6-[[4-(2-PYRIDINYL)PHENYL]METHYL]- 2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | B | 2AQU | 0.74 | |
DR7 | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)- 8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)- 6-[[4-(2-PYRIDINYL)PHENYL]METHYL]- 2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | A | 2FXD | 0.74 | |
DR7 | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)- 8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)- 6-[[4-(2-PYRIDINYL)PHENYL]METHYL]- 2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | A | 2O4K | 0.74 | |
DR7 | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)- 8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)- 6-[[4-(2-PYRIDINYL)PHENYL]METHYL]- 2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | A,B | 2FXE | 0.74 | |
TCR | CYCLOMETHYLTRYPTOPHAN | A | 3AIG | 0.75 | |
DTR | D-TRYPTOPHAN | A,B,C,D | 2R3C | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY8 | 0.74 | |
DTR | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5D | 0.74 | |
DTR | D-TRYPTOPHAN | A | 2V7K | 0.74 | |
DTR | D-TRYPTOPHAN | A,D | 1CZQ | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1DFY | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY5 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1NXN | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1TKF | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1YL9 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XXZ | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY4 | 0.74 | |
DTR | D-TRYPTOPHAN | A,D | 2Q3I | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1QFB | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1DFZ | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY9 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY6 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 2SOC | 0.74 | |
DTR | D-TRYPTOPHAN | A | 2JUE | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1SOC | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1YL8 | 0.74 | |
DTR | D-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.74 | |
DTR | D-TRYPTOPHAN | A,B | 2Q33 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1DG0 | 0.74 | |
DTR | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5B | 0.74 | |
4FW | 4-FLUOROTRYPTOPHANE | A | 1RM9 | 0.73 | |
DPS | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID | A | 1CAQ | 0.72 | |
DPS | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID | A | 1CIZ | 0.72 | |
IAG | N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID | A,B | 1K8Z | 0.74 | |
IAG | N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID | A,B | 1K7E | 0.74 | |
FTR | FLUOROTRYPTOPHANE | A | 2JT8 | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 1NF0 | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A | 2JTZ | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 1I45 | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 2ZNX | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 1NEY | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 5FWG | 0.73 | |
1IN | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPV | 0.82 | |
1IN | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPW | 0.82 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 2DW0 | 0.74 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 2ERP | 0.74 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 2DW1 | 0.74 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B,D,E | 2E3X | 0.74 | |
GM6 | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 1PWU | 0.74 | |
CMM | 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN- 3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL- 1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER | A,B | 1M49 | 0.72 | |
162 | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-3-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL} -1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1NZQ | 0.78 | |
KAW | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-tryptophan | A | 3BKL | 0.77 | |
LA1 | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4- (QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN- 1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE | A,B | 1XUO | 0.71 | |
A77 | N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY- 4-[3-METHYL-2-(3-METHYL-3-PYRIDIN- 2-YLMETHYL-UREIDO)-BUTYRYLAMINO]- 5-PHENYL-PENTYL}-3-METHYL-2-(3- METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)- BUTYRAMIDE | A | 1HVI | 0.73 | |
A77 | N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY- 4-[3-METHYL-2-(3-METHYL-3-PYRIDIN- 2-YLMETHYL-UREIDO)-BUTYRYLAMINO]- 5-PHENYL-PENTYL}-3-METHYL-2-(3- METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)- BUTYRAMIDE | A | 1HVS | 0.73 | |
ZY0 | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]- 4-ETHYL-8-(2-OXO-2,3-DIHYDRO-1H- PYRROL-1-YL)QUINOLINE-6-CARBOXAMIDE | A | 2WF0 | 0.7 | |
RSS | 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA- 12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)- HEXANOIC ACID | A,B | 1MMP | 0.81 | |
C48 | N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE | A | 1CVZ | 0.78 | |
FRN | A | 2CV3 | 0.77 | ||
OAI | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | A | 1C83 | 0.71 | |
SRS | 4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA- 12(19),13(18),15,17-TETRAENE-10- CARBAMOYL)PENTA-METHYLSULFONEDIIMINE | A | 1MMR | 0.71 | |
NQI | N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2- HYDROXY-4-OXOBUTANOYL]AMINO}PENT- 4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE | A | 2NQI | 0.72 | |
BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A,B | 2VD5 | 0.71 | |
BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UVR | 0.71 | |
4IN | 4-AMINO-L-TRYPTOPHAN | A,B | 2HXX | 0.74 | |
4IN | 4-AMINO-L-TRYPTOPHAN | A | 1OXF | 0.74 | |
N12 | N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]- 1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE | H,P | 2ANK | 0.8 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,C | 1HSH | 0.79 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1SDU | 0.79 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B,C,D | 2R5P | 0.79 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 1HSG | 0.79 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1SDV | 0.79 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 2AVS | 0.79 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 2AVO | 0.79 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1SDT | 0.79 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B,D,E | 2AVV | 0.79 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 2B7Z | 0.79 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 1C6Y | 0.79 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 2BPX | 0.79 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1K6C | 0.79 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 1SGU | 0.79 | |
FT6 | 6-FLUORO-L-TRYPTOPHAN | A,B | 2NW9 | 0.73 | |
CZA | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY- 7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO- 11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6- CD]INDOL-11-ONE | A | 2OA0 | 0.7 | |
CZA | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY- 7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO- 11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6- CD]INDOL-11-ONE | A | 3FPS | 0.7 | |
CZA | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY- 7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO- 11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6- CD]INDOL-11-ONE | A | 3FPB | 0.7 | |
CZA | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY- 7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO- 11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6- CD]INDOL-11-ONE | A | 2EAT | 0.7 | |
CZA | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY- 7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO- 11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6- CD]INDOL-11-ONE | A | 2O9J | 0.7 | |
CZA | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY- 7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO- 11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6- CD]INDOL-11-ONE | A | 2EAS | 0.7 | |
CZA | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY- 7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO- 11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6- CD]INDOL-11-ONE | A | 2EAU | 0.7 | |
CZA | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY- 7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO- 11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6- CD]INDOL-11-ONE | A,B | 3FGO | 0.7 | |
PUB | PHYCOUROBILIN | A,B,K,L | 1B8D | 0.7 | |
PUB | PHYCOUROBILIN | A,B,K,L | 1LIA | 0.7 | |
PUB | PHYCOUROBILIN | A,B,K,L | 1EYX | 0.7 | |
PUB | PHYCOUROBILIN | A,B,C,D | 2VJH | 0.7 | |
NQG | 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY- 2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL- L-ARGINYL-L-TRYPTOPHANAMIDE | A | 2NQG | 0.71 | |
XN1 | N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4- HYDROXY-2-(1-PHENYLETHYL)-PENTANAMIDE | A,B | 1K6T | 0.79 | |
IPF | N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N- ACETYLTRYPTOPHYLVALYL)PYRROLIDIN- 2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE | A,B | 2A1E | 0.74 | |
T19 | PHENYLMETHYLENECARBOXY-(METHYLENEAMINO- FORMYL-DIPHENYLMETHYL)METHY-PRO- BOROVAL | H,I | 1AIX | 0.73 | |
CDO | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN- 3-YL)METHYLCARBAMOYL)-2H-PYRROL- 1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN- 2-YLAMINO)ACETIC ACID | H | 2ANM | 0.79 | |
GGW | methyl [(1S,4S,5S,7S,10S)-4-benzyl- 1,10-di-tert-butyl-5-hydroxy-2,9,12- trioxo-7-(4-pyridin-2-ylbenzyl)- 13-oxa-3,8,11-triazatetradec-1- yl]carbamate | H | 3GGA | 0.75 | |
2S2 | (2S)-2-(1H-indol-3-yl)hexanoic acid | B | 3C6O | 0.75 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.72 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.72 | |
DZF | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.72 | |
PYA | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.74 | |
MPE | (1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)- ACETIC ACID | A | 1M4A | 0.72 | |
DFN | 3-[3-(2,3-DIHYDROXY-PROPYLAMINO)- PHENYL]-4-(5-FLUORO-1-METHYL-1H- INDOL-3-YL)-PYRROLE-2,5-DIONE | A,B | 1R0E | 0.7 | |
IOP | INDOLYLPROPIONIC ACID | A,B | 1AHF | 0.72 | |
IOP | INDOLYLPROPIONIC ACID | A | 2OLI | 0.72 | |
IOP | INDOLYLPROPIONIC ACID | A,B | 2AY5 | 0.72 | |
RDF | N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)- L-LEUCYL-L-TRYPTOPHAN | A | 1DMT | 0.72 | |
RDF | N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)- L-LEUCYL-L-TRYPTOPHAN | A | 3DWB | 0.72 | |
RDF | N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)- L-LEUCYL-L-TRYPTOPHAN | A | 3DBK | 0.72 | |
567 | 2-[[(2R)-1-[[(2S)-5-amino-1-[(4- carbamimidoylphenyl)methylamino]- 1,5-dioxo-pentan-2-yl]amino]-3- (1H-indol-3-yl)-1-oxo-propan-2- yl]sulfamoyl]ethanoic acid | H,L | 2ZWL | 0.71 | |
34Q | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.7 | |
A85 | N-{1-BENZYL-2,2-DIFLUORO-3,3-DIHYDROXY- 4-[3-METHYL-2-(3-METHYL-3-PYRIDIN- 2-YLMETHYL-UREIDO)-BUTYRYLAMINO]- 5-PHENYL-PENTYL}-3-METHYL-2-(3- METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)- BUTYRAMIDE | A,B | 1DIF | 0.75 | |
6CW | 6-CHLORO-L-TRYPTOPHAN | B | 2GV2 | 0.7 | |
6CW | 6-CHLORO-L-TRYPTOPHAN | A,B | 2AXI | 0.7 | |
6CW | 6-CHLORO-L-TRYPTOPHAN | A,L,M | 3FEA | 0.7 | |
GGX | B,C,E,H | 3GGX | 0.73 | ||
T42 | MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID | H,I | 1AI8 | 0.75 | |
4AH | B | 2CEN | 0.72 | ||
698 | (2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)- 2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE- 2,4-DICARBOXYLIC ACID | A,B | 2JC1 | 0.72 | |
BO2 | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]- N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | 2,H,K,N,V,Y | 2F16 | 0.72 | |
VRS | VIRGINIAMYCIN S1 | 0,1,2,3,9,A, B,C,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 1YIT | 0.71 | |
163 | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-2-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1O0D | 0.76 | |
P10 | [1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER | A | 1ME3 | 0.73 | |
FXV | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | A | 1KSN | 0.71 | |
INP | 4-[[N-[(PHENYLMETHOXY)CARBONYL]- /NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4- (PYRIDINYLMETHOXY)CARBONYL]AMINO]- 4-METHYLPENT/NYL]-3-PYRROLIDINONE/N | A | 1AU4 | 0.74 | |
RX3 | N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}- 2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)- L-TRYPTOPHAN | A | 2OC2 | 0.7 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2I0T | 0.71 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | A,B,C,D,K,L, M,N | 2J57 | 0.71 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2OK4 | 0.71 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2IUR | 0.71 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2AGW | 0.71 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | A,B,H,L,M | 2J56 | 0.71 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2IUV | 0.71 | |
TQQ | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | D,H | 2OK6 | 0.71 | |
CII | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.73 | |
GPI | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.74 | |
4PP | C,L | 1XKA | 0.73 | ||
4PP | A,B,C,D | 1XKB | 0.73 | ||
MDL | [DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]- [4,4,5,5,5-PENTAFLUORO-3-OXY-1- [3-INDOLYL]-PENT-2-YL]AMINE | H,I | 1AD8 | 0.72 | |
PBG | 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)- 1H-PYRROL-3-YL]PROPANOIC ACID | A,B | 1E51 | 0.72 | |
PBG | 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)- 1H-PYRROL-3-YL]PROPANOIC ACID | A | 1OHL | 0.72 | |
RRS | N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO- 1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA- 12(19),13,15,17-TETRAEN-10-YL)- SUCCINAMIDE | A | 1MMQ | 0.75 |