Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03073957
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 |
I40![]() | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.72 | ![]() |
NCL![]() | 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine | A,B | 3ET8 | 0.75 | ![]() |
GM6![]() | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 2DW0 | 0.7 | ![]() |
GM6![]() | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 2ERP | 0.7 | ![]() |
GM6![]() | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 2DW1 | 0.7 | ![]() |
GM6![]() | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B,D,E | 2E3X | 0.7 | ![]() |
GM6![]() | 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL- TRP-METHYLAMIDE | A,B | 1PWU | 0.7 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | B | 2P1Q | 0.73 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | A | 2OYF | 0.73 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | A,B | 3FVU | 0.73 | ![]() |
IAC![]() | 1H-INDOL-3-YLACETIC ACID | B | 2P1P | 0.73 | ![]() |
GGX![]() | B,C,E,H | 3GGX | 0.71 | ![]() | |
BMS![]() | A,B | 1DKF | 0.73 | ![]() | |
L12![]() | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.71 | ![]() |
NCI![]() | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B,C,D | 3EUI | 0.75 | ![]() |
NCI![]() | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B | 3EQW | 0.75 | ![]() |
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 | 0.72 | ![]() |
PPX![]() | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.71 | ![]() |
A1E![]() | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLAMINO)DECYL]AMINO}-5,6,7,8- TETRAHYDROQUINOLIN-2(1H)-ONE | A | 1ZGB | 0.7 | ![]() |
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 | 0.7 | ![]() |
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 | 0.7 | ![]() |
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 | 0.7 | ![]() |
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 | 0.7 | ![]() |
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 | 0.73 | ![]() |
9HP![]() | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.75 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.71 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.71 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.71 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.71 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.71 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.71 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.71 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.71 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.71 | ![]() |
DCU![]() | A,B | 1J07 | 0.72 | ![]() | |
CII![]() | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.71 | ![]() |
SU1![]() | 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL- 2-YL)METHYLENE]-2-INDOLINONE | A,B | 1FGI | 0.7 | ![]() |
LG2![]() | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.72 | ![]() |
IAV![]() | N-[1H-INDOL-3-YL-ACETYL]VALINE ACID | A,B | 1K7F | 0.75 | ![]() |
BP5![]() | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.79 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.74 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.74 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.74 | ![]() |
PF7![]() | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.9 | ![]() |
PY1![]() | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.73 | ![]() |
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 | 0.71 | ![]() |
IAG![]() | N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID | A,B | 1K8Z | 0.72 | ![]() |
IAG![]() | N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID | A,B | 1K7E | 0.72 | ![]() |
LG1![]() | 3,11-DIFLUORO-6,8,13-TRIMETHYL- 8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM | A,B,D | 1NZM | 0.71 | ![]() |
047![]() | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.72 | ![]() |
BRF![]() | A | 1UUO | 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 | 0.72 | ![]() |
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 | 0.72 | ![]() |
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 | ![]() |
HQA![]() | 3-(8-hydroxyquinolin-3-yl)-L-alanine | A,B | 3FCA | 0.71 | ![]() |
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 | 0.73 | ![]() |
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 | 0.72 | ![]() |
IQP![]() | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.72 | ![]() |
LIH![]() | 6-([5-QUINOLYLAMINO]METHYL)-2,4- DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE | A | 1KMS | 0.71 | ![]() |
PRM![]() | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.73 | ![]() |
TPL![]() | TRYPTOPHANOL | A | 1EE7 | 0.7 | ![]() |
115![]() | 7-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL- 1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWI | 0.71 | ![]() |
A1T![]() | 5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL- 4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN- 4-YL]PYRIDINE-2-CARBOXAMIDE | A | 2IGX | 0.72 | ![]() |
A2T![]() | N-[1-(3-METHYLBUTYL)PIPERIDIN-4- YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}- 4-PENTYLBENZAMIDE | A,B | 2IGY | 0.74 | ![]() |
PAT![]() | ALPHA-PHOSPHONO-TRYPTOPHAN | A,B | 1I73 | 0.7 | ![]() |
ITR![]() | IMINO-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.74 | ![]() |
OBI![]() | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.72 | ![]() |
SN6![]() | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM | A,B | 144D | 0.74 | ![]() |
IQZ![]() | (12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3- a]quinolizin-7(6H)-one | A | 1S1J | 0.7 | ![]() |
B9A![]() | MACROCYCLIC-BIS-9-AMINO-ACRIDINE | A,B | 1FD5 | 0.7 | ![]() |
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 | ![]() |
AUP![]() | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.75 | ![]() |
MM0![]() | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.72 | ![]() |
4FW![]() | 4-FLUOROTRYPTOPHANE | A | 1RM9 | 0.73 | ![]() |
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 | ![]() |
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 | 0.74 | ![]() |
2S3![]() | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.74 | ![]() |
793![]() | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.72 | ![]() |
985![]() | (2E)-3-{3-[6-(4-methyl-1,4-diazepan- 1-yl)pyrazin-2-yl]phenyl}prop-2- enoic acid | A | 3F2A | 0.72 | ![]() |
QMS![]() | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.75 | ![]() |
A8N![]() | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.72 | ![]() |
AGE![]() | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.7 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.75 | ![]() |
IOP![]() | INDOLYLPROPIONIC ACID | A,B | 1AHF | 0.74 | ![]() |
IOP![]() | INDOLYLPROPIONIC ACID | A | 2OLI | 0.74 | ![]() |
IOP![]() | INDOLYLPROPIONIC ACID | A,B | 2AY5 | 0.74 | ![]() |
FPH![]() | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.72 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.71 | ![]() |
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 | 0.7 | ![]() |
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 | 0.7 | ![]() |
BMO![]() | N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9- YLAMINO)PROPYL]PROPANE-1,3-DIAMINE | A | 2GJB | 0.71 | ![]() |
BRE![]() | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.75 | ![]() |
IAD![]() | N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID | A,B | 1K3U | 0.71 | ![]() |
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 | 0.76 | ![]() |
IMQ![]() | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.78 | ![]() |
5IQ![]() | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.77 | ![]() |
HQO![]() | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.7 | ![]() |
HQO![]() | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.7 | ![]() |
HQO![]() | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.7 | ![]() |
9AC![]() | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.73 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.73 | ![]() |
2S8![]() | (2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid | B | 3C6N | 0.72 | ![]() |
THA![]() | TACRINE | A,B | 2AOW | 0.72 | ![]() |
THA![]() | TACRINE | A,B,C,D,E,F | 1MX1 | 0.72 | ![]() |
THA![]() | TACRINE | A,B | 2AOX | 0.72 | ![]() |
THA![]() | TACRINE | A | 1ACJ | 0.72 | ![]() |
CLQ![]() | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.75 | ![]() |
F11![]() | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.72 | ![]() |
FT6![]() | 6-FLUORO-L-TRYPTOPHAN | A,B | 2NW9 | 0.73 | ![]() |
LTN![]() | L-TRYPTOPHANAMIDE | A | 1MAU | 0.7 | ![]() |
LTN![]() | L-TRYPTOPHANAMIDE | A,B | 2QUI | 0.7 | ![]() |
PYN![]() | 3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN- 1-YL-PROPIONYLAMINO)-ACRIDIN-3- YL]-PROPIONAMIDE | A,B | 1L1H | 0.72 | ![]() |
A2E![]() | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLAMINO)DECYL]AMINO}-5,6,7,8- TETRAHYDROQUINOLIN-2(1H)-ONE | A,B | 1ZGC | 0.7 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNF | 0.73 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2H9V | 0.73 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A,B | 2ETR | 0.73 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNJ | 0.73 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 1Q8T | 0.73 | ![]() |
L1B![]() | 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM | A,B | 2G21 | 0.74 | ![]() |
QNO![]() | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.7 | ![]() |
QNO![]() | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.7 | ![]() |
P4O![]() | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)- 1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | A | 2JBO | 0.71 | ![]() |
P4O![]() | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)- 1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | A,B,C,D,E,F, G,H,I,K,L | 2JBP | 0.71 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.74 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.74 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.74 | ![]() |
2S2![]() | (2S)-2-(1H-indol-3-yl)hexanoic acid | B | 3C6O | 0.75 | ![]() |
PYA![]() | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.84 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.73 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.73 | ![]() |
DPT![]() | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.81 | ![]() |
D3E![]() | N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide | A,B,C,D | 3D3E | 0.72 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.73 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.73 | ![]() |
8IP![]() | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.7 | ![]() |
MYT![]() | METYRAPONE | A | 1PHG | 0.72 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.72 | ![]() |
CRZ![]() | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | A | 1TOW | 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 | 0.72 | ![]() |
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 | 0.73 | ![]() |
IDN![]() | (E)-N-METHYL-N-(1-METHYL-1H-INDOL- 3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO- [1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE | A,B | 1MFP | 0.71 | ![]() |
DPS![]() | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID | A | 1CAQ | 0.71 | ![]() |
DPS![]() | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID | A | 1CIZ | 0.71 | ![]() |
NCK![]() | 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine | A,B | 3ES0 | 0.75 | ![]() |
PRL![]() | PROFLAVIN | H,I | 1BCU | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A,B,D,E | 1QVT | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A,B | 2KD4 | 0.71 | ![]() |
PRL![]() | PROFLAVIN | A | 1QVU | 0.71 | ![]() |
PRR![]() | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.75 | ![]() |
NA9![]() | N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE | H,P | 2A2X | 0.75 | ![]() |
PAA![]() | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.74 | ![]() |
NC5![]() | 3-[(2R)-2-ethylpiperidin-1-yl]- N-[6-({3-[(2S)-2-ethylpiperidin- 1-yl]propanoyl}amino)acridin-3- yl]propanamide | A,B,C,D | 3EUI | 0.75 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.78 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.7 | ![]() |
AA7![]() | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.72 | ![]() |
MIB![]() | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.73 | ![]() |
NCQ![]() | 3,6-Bis[3-(azepan-1-yl)propionamido]acridine | A,B | 3EUM | 0.72 | ![]() |
TOX![]() | 2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL | A,B | 2DV2 | 0.71 | ![]() |
TOX![]() | 2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL | A,B | 2FXJ | 0.71 | ![]() |
TRF![]() | N1-FORMYL-TRYPTOPHAN | A,B | 1VRK | 0.74 | ![]() |
TRF![]() | N1-FORMYL-TRYPTOPHAN | A,B,C,D | 1QS7 | 0.74 | ![]() |
NCJ![]() | 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine | A,B | 3ERU | 0.75 | ![]() |
BRA![]() | 9-[4-(n,n-dimethylamino)phenylamino]- 3,6-bis(3-pyrrolidinopropionamido) acridine | A | 3CE5 | 0.71 | ![]() |
4IN![]() | 4-AMINO-L-TRYPTOPHAN | A,B | 2HXX | 0.72 | ![]() |
4IN![]() | 4-AMINO-L-TRYPTOPHAN | A | 1OXF | 0.72 | ![]() |
C48![]() | N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE | A | 1CVZ | 0.73 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T | 1UW6 | 0.72 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.72 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.72 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 1JT6 | 0.75 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR2 | 0.75 | ![]() |
DEQ![]() | DEQUALINIUM | A | 1OYD | 0.75 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BT9 | 0.75 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BTJ | 0.75 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR1 | 0.75 | ![]() |
NPH![]() | CYSTEINE-METHYLENE-CARBAMOYL-1,10- PHENANTHROLINE | A | 1A18 | 0.77 | ![]() |
4PP![]() | C,L | 1XKA | 0.75 | ![]() | |
4PP![]() | A,B,C,D | 1XKB | 0.75 | ![]() | |
SN7![]() | 4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]- N-METHYLPYRIDINIUM MESYLATE | A | 328D | 0.72 | ![]() |
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 | 0.72 | ![]() |
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 | 0.72 | ![]() |
QND![]() | QUINALDIC ACID | A,B | 1IDA | 0.7 | ![]() |
ISQ![]() | ISOQUINOLINE | A | 1GDK | 0.75 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.74 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.74 | ![]() |
364![]() | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.74 | ![]() |
NCE![]() | 3,6-Bis[(3-morpholinopropionamido)] acridine | A,B | 3EM2 | 0.71 | ![]() |
TSR![]() | 2-(1H-INDOL-3-YL)ACETAMIDE | D,H | 2OJY | 0.7 | ![]() |
TSR![]() | 2-(1H-INDOL-3-YL)ACETAMIDE | A,D,H | 2OIZ | 0.7 | ![]() |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.75 | ![]() |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.75 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 1LIH | 0.79 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 2LIG | 0.79 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.79 | ![]() |
MOJ![]() | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin- 3-ylphenyl)-4-methyl-7,8-dihydroquinazolin- 5(6H)-one oxime | A | 3FT8 | 0.72 | ![]() |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.7 | ![]() |