Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01809193
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 |
HTA | N-[3-(N'-HYDROXYCARBOXAMIDO)-2- (2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE- N-METHYLAMIDE | A | 1FBL | 0.71 | |
NHN | A,C | 2GVF | 0.73 | ||
D18 | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN | B | 298D | 0.77 | |
195 | 4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6Q | 0.74 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1J6Z | 0.72 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1NWK | 0.72 | |
393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDU | 0.74 | |
393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDC | 0.74 | |
393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDP | 0.74 | |
393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PZN | 0.74 | |
393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2PDJ | 0.74 | |
393 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | A | 2IKJ | 0.74 | |
VG2 | 4-(2-aminoethoxy)-N-(3-chloro-5- piperidin-1-ylphenyl)-3,5-dimethylbenzamide | A | 2VIV | 0.71 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.74 | |
ZY3 | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHOXYBENZYL)AMINO]PROPYL}- 6-(ETHYLAMINO)-1-METHYL-1,3,4,5- TETRAHYDRO-2,1-BENZOTHIAZEPINE- 8-CARBOXAMIDE 2,2-DIOXIDE | A | 2WF3 | 0.72 | |
XIN | methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin- 1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}- 2-oxo-2,3-dihydro-1H-indole-6-carboxylate | A | 3C7Q | 0.75 | |
D55 | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.73 | |
PI8 | N-13-[(10S,13S)-9,12-DIOXO-10-(2- BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA- 15,17,18-TRIENE] (2R)-BENZYL-(4S)- HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY- (2S)-INDANEAMIDE | A,B | 1D4K | 0.7 | |
194 | 4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6P | 0.74 | |
RXD | N-[3-(2-fluoroethoxy)phenyl]-N'- (1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin- 6-yl)butanediamide | A,B,C,D | 3DEK | 0.7 | |
L01 | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.73 | |
BV3 | 1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)- BENZOYLAMINO]-PROPYL}-PIPERAZIN- 1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]- AMINO-ETHYL]-AMINO-CARBONYLOXY)- 2-AMINO-PROPANE | D,E,F,G,H | 1RDP | 0.71 | |
VS3 | 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL- AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4- NITRO-PHENYL ESTER | A | 1F2B | 0.73 | |
5CN | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5- HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN- 1-YL)-PHENYL]-AMIDE | A | 2I1M | 0.73 | |
5CN | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5- HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN- 1-YL)-PHENYL]-AMIDE | A | 2I0Y | 0.73 | |
A32 | (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)- GALACTOPYRANOSIDE | D,E,F,G,H,L, M,O,P,V,W,X, Y,Z | 1JQY | 0.73 | |
A24 | (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)- GALACTOPYRANOSIDE | D,E,F,G,H | 1JR0 | 0.74 | |
DBO | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE- 10-CARBOXAMIDE | A,B,C,D | 2EWY | 0.7 | |
CS9 | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN- 2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QMF | 0.7 | |
418 | 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO- 3-{4-[(2-CARBOXY-PHENYL)-OXALYL- AMINO]-PHENYL}-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1PH0 | 0.71 | |
IC1 | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE | A,B | 1EH4 | 0.72 | |
U04 | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN- 3-YL)-PROPYL]-PHENYLCARBAMOYL}- METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | A | 4UPJ | 0.75 | |
3MR | (4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN- 3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE | A | 2Q15 | 0.7 | |
P28 | 3',5'-DINITRO-N-ACETYL-L-THYRONINE | A,B | 2ROY | 0.74 | |
PI5 | N-[3-(8-SEC-BUTYL-7,10-DIOXO-2- OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14- TRIEN-11-YLAMINO)- 2-HYDROXY-1-(4-HYDROXY-BENZYL)- PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN- 1-YL)-BUTYRAMIDE | A,B | 1B6K | 0.71 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.74 | |
L05 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.79 | |
3IH | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A | 2HOB | 0.72 | |
3IH | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A,B | 2AMQ | 0.72 | |
3IH | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A,B,C,D | 3D23 | 0.72 | |
3IH | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A,B | 2Q6F | 0.72 | |
1DM | N-(2-MORPHOLIN-4-YL-1-MORPHOLIN- 4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5- TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-2-YLOXY)-BENZAMIDE | D,E,F,G,H | 1PZI | 0.73 | |
IN3 | 1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)- 5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE | A | 1AYW | 0.72 | |
4BO | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.72 | |
BV2 | 1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)- BENZOYLAMINO]-PROPYL}-PIPERAZIN- 1-YL)-PROPYL-AMINO]-CARBONYLOXY)- 2-AMINO-PROPANE | D,E,F,G,H | 1RD9 | 0.71 | |
IID | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.7 | |
D19 | 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN | A | 289D | 0.75 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.7 | |
VR1 | (2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]- 4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2- YL}AMINO)-2-(4-FLUOROPHENYL)-N- [(4-NITROPHENYL)SULFONYL]ACETAMIDE | A,B | 2O5D | 0.78 | |
15B | N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN- 1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)- BETA-BENZAMIDE | D,E,F,G,H | 1PZJ | 0.75 | |
PI9 | A,B | 1D4L | 0.71 | ||
D35 | 2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURAN | A | 1FMS | 0.75 | |
BV1 | D,E,F,G,H | 1RCV | 0.73 | ||
4BQ | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.71 | |
D34 | 2,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURAN | A | 1FMQ | 0.75 | |
R36 | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LEE | 0.76 | |
VG4 | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(2-oxo-2,3-dihydro- 1H-pyrrol-1-yl)-5-propoxybenzamide | A | 2VIZ | 0.78 | |
RQ3 | 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL- METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID | A,B,C,D | 1G9V | 0.7 | |
997 | 1-[3,3-DIMETHYL-2-(2-METHYLAMINO- PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY- PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4- TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE | A | 1TFT | 0.7 | |
T1D | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5- THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | A | 2BGD | 0.71 | |
CS5 | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- 5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QK5 | 0.71 | |
D24 | 2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN- 5-YLAMINO-1-AMINOMETHYL]-PHEN-1- YL]FURAN | B | 1EEL | 0.75 | |
B23 | 5-(2-NITROPHENYL)-2-FUROIC ACID | A | 2Q92 | 0.7 | |
DRR | A,B | 3BXR | 0.71 | ||
L75 | N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)- PHENYLMETHYL-4(S)-HYDROXY-5-[4- [2-BENZOFURANYLMETHYL]-2(S)-[TERT- BUTYLAMINOCARBONYL]-PIPERAZINYL]- PENTANEAMIDE | B | 1C70 | 0.72 | |
541 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL- 3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}- 2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | A,B | 2FV5 | 0.71 | |
MR0 | N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- N~1~,N~1~-DIPROPYLBENZENE-1,3,5- TRICARBOXAMIDE | A,B,C | 2P83 | 0.72 | |
R37 | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LF2 | 0.74 | |
012 | (4S)-N-[(1S,2R)-1-benzyl-3-{[3- (dimethylamino)benzyl]amino}-2- hydroxypropyl]-1-(3-methoxybenzyl)- 2-oxoimidazolidine-4-carboxamide | A,B,C | 3CKP | 0.74 | |
380 | (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)- N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE | H,L | 1W2K | 0.71 | |
R2C | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.71 | |
BSD | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(3-methoxybenzyl)amino]propyl}- 5-[methyl(methylsulfonyl)amino]- N'-[(1R)-1-phenylethyl]benzene- 1,3-dicarboxamide | A,B,C,D | 2VKM | 0.73 | |
J15 | N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN- 1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)- ALPHA-BENZAMIDE | D,E,F,G,H | 1PZJ | 0.75 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | L,P | 1MPA | 0.7 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | L,P | 2MPA | 0.7 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | I,L | 1DZH | 0.7 | |
BIQ | BENZYL [12-(2-AMINO-2-OXOETHYL)- 4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]- 2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA- 1(19),3(22),4,6,17,20-HEXAEN-9- YL]CARBAMATE | H,V | 2GPL | 0.78 |