Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02106203
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 |
SF1 | 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q61 | 0.76 | |
DSI | 4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)- 8-METHYL-3,6,7,8-TETRAHYDRO-3,6- DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER | B | 1DSI | 0.71 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.71 | |
CRR | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID | A | 2Z3U | 0.76 | |
IMN | INDOMETHACIN | A | 2BXM | 0.72 | |
IMN | INDOMETHACIN | A | 3FO7 | 0.72 | |
IMN | INDOMETHACIN | A,B,C,D | 1Z9H | 0.72 | |
IMN | INDOMETHACIN | A | 2BXQ | 0.72 | |
IMN | INDOMETHACIN | A,B,C,D | 4COX | 0.72 | |
IMN | INDOMETHACIN | A | 2ALT | 0.72 | |
IMN | INDOMETHACIN | A | 2OTH | 0.72 | |
IMN | INDOMETHACIN | A,B | 2DM6 | 0.72 | |
IMN | INDOMETHACIN | A | 1S2A | 0.72 | |
IMN | INDOMETHACIN | A | 2ZB8 | 0.72 | |
IMN | INDOMETHACIN | A | 3HWZ | 0.72 | |
IMN | INDOMETHACIN | A | 2BXK | 0.72 | |
669 | 1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)- 1H-INDOLE-2-CARBOXYLIC ACID | A | 1MZS | 0.78 | |
208 | (2S)-3-(1-{[2-(2-CHLOROPHENYL)- 5-METHYL-1,3-OXAZOL-4-YL]METHYL}- 1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID | A | 2GTK | 0.81 | |
CBB | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER | B | 1LPK | 0.79 | |
CLI | 3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID | A,F | 1LEV | 0.72 | |
A46 | 5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}- 1H-indole-2-carboxamide | A,B | 2ZB2 | 0.72 | |
L92 | (2S)-3-{4-[3-(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)PROPYL]PHENYL}- 2-(1H-PYRROL-1-YL)PROPANOIC ACID | A | 2Q8S | 0.73 | |
I4A | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.7 | |
NZA | 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q5S | 0.75 | |
LX2 | [4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2- diphenylethyl)amino}propoxy)-1H- indol-1-yl]acetic acid | A,B,C,D | 3FC6 | 0.73 | |
643 | 6-(4-{[3-(3,5-dichloropyridin-4- yl)-5-(1-methylethyl)isoxazol-4- yl]methoxy}-2-methylphenyl)-1-methyl- 1H-indole-3-carboxylic acid | A | 3FXV | 0.73 | |
PVB | PURVALANOL | A | 1CKP | 0.71 | |
PVB | PURVALANOL | A,B | 1V0P | 0.71 | |
3EA | 2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL- 6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID | A,B | 2ATH | 0.72 | |
SF2 | 5-CHLORO-1-(3-METHOXYBENZYL)-3- (PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q6R | 0.74 | |
OAI | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | A | 1C83 | 0.74 | |
627 | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4- C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN- 1-YL)BENZAMIDE | A,B | 2J50 | 0.72 | |
627 | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4- C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN- 1-YL)BENZAMIDE | A,B | 2V7A | 0.72 | |
I3N | 1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID | A | 1DCY | 0.7 | |
809 | 4-(2-chlorophenyl)-8-(2-hydroxyethyl)- 6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)- dione | A | 3CR0 | 0.76 | |
V25 | ethyl 3-[(E)-2-amino-1-cyanoethenyl]- 6,7-dichloro-1-methyl-1H-indole- 2-carboxylate | A | 2VAG | 0.78 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 1C8L | 0.74 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 2AMV | 0.74 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 3AMV | 0.74 | |
FRL | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)- 1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1WXZ | 0.74 | |
IM8 | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYE | 0.72 | |
IMS | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYU | 0.72 | |
2CC | 3,4-bis(7-chloro-1H-indol-3-yl)- 1H-pyrrole-2,5-dicarboxylic acid | A | 3A1L | 0.78 | |
CP4 | BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL- AMINOETHYL]-ETHYLENE GLYCOL | A,B | 1EM6 | 0.73 | |
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 | |
T19 | PHENYLMETHYLENECARBOXY-(METHYLENEAMINO- FORMYL-DIPHENYLMETHYL)METHY-PRO- BOROVAL | H,I | 1AIX | 0.72 | |
CMF | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
EHA | (5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}- 1H-INDOL-1-YL)ACETIC ACID | A | 2F4B | 0.71 | |
IIE | 1-{2-[(4-CHLOROPHENYL)AMINO]-2- OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN- 4-YL)-1H-INDOLE-2-CARBOXAMIDE | B | 2BQW | 0.71 | |
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 | 0.75 | |
225 | FELODIPINE | A | 2NNJ | 0.71 |