Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02605330
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 |
288![]() | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL- (2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}- AMIDE | A,B | 1XOI | 0.77 | ![]() |
K88![]() | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7- TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)- 2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE | A,D | 2WEL | 0.73 | ![]() |
BD4![]() | 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4- C]CARBAZOLE-1,3(2H,6H)-DIONE | A | 1WVX | 0.73 | ![]() |
MB9![]() | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9- tetrahydrospiro[beta-carboline- 3,4'-piperidine]-4-carbonitrile | A | 3CY2 | 0.7 | ![]() |
8HI![]() | (3R,5R)-7-{3-(4-fluorophenyl)-1- (1-methylethyl)-4-phenyl-5-[(4- sulfamoylphenyl)carbamoyl]-1H-pyrrol- 2-yl}-3,5-dihydroxyheptanoic acid | A,B,C,D | 3CDA | 0.7 | ![]() |
BI8![]() | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A,B | 2VD5 | 0.7 | ![]() |
BI8![]() | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UVR | 0.7 | ![]() |
D93![]() | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE- 2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL- 4,5,6,7-TETRAHYDROTHIAZOLO[5,4- C]PYRIDINE-2-CARBOXAMIDE | A | 2EI7 | 0.73 | ![]() |
CMB![]() | 1-(3-carbamimidoylbenzyl)-N-(3,5- dichlorobenzyl)-4-methyl-1H-indole- 2-carboxamide | B | 1LPZ | 0.75 | ![]() |
809![]() | 4-(2-chlorophenyl)-8-(2-hydroxyethyl)- 6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)- dione | A | 3CR0 | 0.72 | ![]() |
PDS![]() | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL- 1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | A,B | 2I0E | 0.72 | ![]() |
IIE![]() | 1-{2-[(4-CHLOROPHENYL)AMINO]-2- OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN- 4-YL)-1H-INDOLE-2-CARBOXAMIDE | B | 2BQW | 0.75 | ![]() |
ME4![]() | 3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN- 1(2H)-YL)BENZAMIDO)CYCLOHEXYL)- 1H-INDOLE-6-CARBOXAMIDE | A | 2P94 | 0.71 | ![]() |
FRX![]() | (S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)- 2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN- 3-YL)-6H-THIENO[2,3-B]PYRROLE-5- CARBOXAMIDE | A,B | 2IEI | 0.71 | ![]() |
DFN![]() | 3-[3-(2,3-DIHYDROXY-PROPYLAMINO)- PHENYL]-4-(5-FLUORO-1-METHYL-1H- INDOL-3-YL)-PYRROLE-2,5-DIONE | A,B | 1R0E | 0.71 | ![]() |
NZA![]() | 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q5S | 0.73 | ![]() |
D92![]() | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE- 2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL- 4,5,6,7-TETRAHYDROTHIAZOLO[5,4- C]PYRIDINE-2-CARBOXAMIDE | A | 2EI6 | 0.73 | ![]() |
SBS![]() | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF8 | 0.77 | ![]() |
5Z5![]() | 5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]- 2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE | A | 2JAV | 0.73 | ![]() |
DT8![]() | N-((1R,2S,5S)-2-(5-CHLORO-1H-INDOLE- 2-CARBOXAMIDO)-5-(DIMETHYLCARBAMOYL)CYCLOHEXYL)- 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4- C]PYRIDINE-2-CARBOXAMIDE | A | 2EI8 | 0.72 | ![]() |
J60![]() | 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]-N-[2- (DIETHYLAMINO)ETHYL]-2,4-DIMETHYL- 1H-PYRROLE-3-CARBOXAMIDE | A,B | 2JAM | 0.73 | ![]() |
CHI![]() | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE | A | 1H5U | 0.76 | ![]() |
CHI![]() | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE | A | 1C50 | 0.76 | ![]() |
CHI![]() | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE | A | 1LWO | 0.76 | ![]() |
ZY4![]() | N-[(1S)-1-BENZYL-2,2-DIHYDROXY- 3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]- 6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3- CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE | A | 2WF4 | 0.71 | ![]() |
LY4![]() | (9R)-9-[(DIMETHYLAMINO)METHYL]- 6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17- DIMETHENODIBENZO[E,K]PYRROLO[3,4- H][1,4,13]OXADIAZACYCLOHEXADECINE- 18,20-DIONE | B | 2J2I | 0.73 | ![]() |
LY4![]() | (9R)-9-[(DIMETHYLAMINO)METHYL]- 6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17- DIMETHENODIBENZO[E,K]PYRROLO[3,4- H][1,4,13]OXADIAZACYCLOHEXADECINE- 18,20-DIONE | A | 1UU3 | 0.73 | ![]() |
RDR![]() | 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]- 1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2- C]PYRIDIN-2-YL]METHYL}PIPERAZIN- 2-ONE | A | 1NFX | 0.76 | ![]() |
274![]() | (3Z)-N-(3-CHLOROPHENYL)-3-({3,5- DIMETHYL-4-[(4-METHYLPIPERAZIN- 1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)- N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE | A | 2J7T | 0.78 | ![]() |
D01![]() | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN- 1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4- OXIDE | A | 2D1J | 0.73 | ![]() |
ZAM![]() | 3-[(ACETYL-METHYL-AMINO)-METHYL]- 4-AMINO-N-METHYL-N-(1-METHYL-1H- INDOL-2-YLMETHYL)-BENZAMIDE | A,B | 1LX6 | 0.73 | ![]() |
SBR![]() | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF7 | 0.77 | ![]() |
SNX![]() | 2-[(2-methoxyethyl)amino]-4-(4- oxo-1,2,3,4-tetrahydro-9H-carbazol- 9-yl)benzamide | A | 3D0B | 0.73 | ![]() |
GSQ![]() | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL- 2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)- 1-[(1S)-1-METHYL-2-MORPHOLIN-4- YL-2-SULFONAMIDE | A | 2J2U | 0.76 | ![]() |
AM8![]() | N-(3-chlorophenyl)-N-methyl-2-oxo- 3-[(3,4,5-trimethyl-1H-pyrrol-2- yl)methyl]-2H-indole-5-sulfonamide | A | 2RFS | 0.74 | ![]() |
P91![]() | 8-bromo-4-(2-chlorophenyl)-N-(2- hydroxyethyl)-6-methyl-1,3-dioxo- 1,2,3,6-tetrahydropyrrolo[3,4-e]indole- 7-carboxamide | A | 3CQE | 0.74 | ![]() |
CM7![]() | N-[(1S,2R)-1-benzyl-2-hydroxy-3- {[3-(trifluoromethyl)benzyl]amino}propyl]- 7-ethyl-1-methyl-3,4-dihydro-1H- [1,2,5]thiadiazepino[3,4,5-hi]indole- 9-carboxamide 2,2-dioxide | A | 2VNN | 0.71 | ![]() |
SF1![]() | 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q61 | 0.73 | ![]() |
700![]() | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5Q | 0.73 | ![]() |
700![]() | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1EXV | 0.73 | ![]() |
700![]() | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5S | 0.73 | ![]() |
700![]() | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L7X | 0.73 | ![]() |
700![]() | [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID | A,B | 1L5R | 0.73 | ![]() |
CMF![]() | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.7 | ![]() |
770![]() | N-[4-(2-CHLOROPHENYL)-1,3-DIOXO- 1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL- 9-YL]FORMAMIDE | A | 2Z2W | 0.74 | ![]() |
SBB![]() | N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL- BENZAMIDE | A | 1IF9 | 0.75 | ![]() |
CP4![]() | BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL- AMINOETHYL]-ETHYLENE GLYCOL | A,B | 1EM6 | 0.78 | ![]() |
9HI![]() | (3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]- 4,5-bis(4-fluorophenyl)-2-(1-methylethyl)- 1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid | A,C,D | 3CDB | 0.71 | ![]() |