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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01546752

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.78
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.73
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.74
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER		A,B1M490.73
IMS2-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1S)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE		P2OYU0.71
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.72
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE		A,B,C,D1KBO0.7
IM82-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1R)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE		P2OYE0.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.73
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.73
241(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID		A,B2Q5P0.71
6691-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-
1H-INDOLE-2-CARBOXYLIC ACID		A1MZS0.7
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.7
3309-HYDROXY-6-(3-HYDROXYPROPYL)-4-
(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE		A2IO60.71
IMNINDOMETHACINA2BXM0.7
IMNINDOMETHACINA3FO70.7
IMNINDOMETHACINA,B,C,D1Z9H0.7
IMNINDOMETHACINA2BXQ0.7
IMNINDOMETHACINA,B,C,D4COX0.7
IMNINDOMETHACINA2ALT0.7
IMNINDOMETHACINA2OTH0.7
IMNINDOMETHACINA,B2DM60.7
IMNINDOMETHACINA1S2A0.7
IMNINDOMETHACINA2ZB80.7
IMNINDOMETHACINA3HWZ0.7
IMNINDOMETHACINA2BXK0.7
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.79
V5X(2R)-N~8~-HYDROXY-2-{[(5-METHOXY-
2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-
N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE		A,B2V5X0.73
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID		A2IN60.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.79
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.72
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.75
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.74
BH1BACTERIOPHEOPHYTINA,B2BNS0.74
BH1BACTERIOPHEOPHYTINA,B2BNP0.74
A535-{5-[(S)-2-AMINO-3-(1H-INDOL-3-
YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-
(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-
1,3-DIHYDRO-INDOL-2-ONE		A2GHG0.71
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.7
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide		A,B2ZB20.73
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.75
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID		A1DB50.73
8249-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE		A1X8B0.73
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole		A,B2R0G0.75
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.72
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.72
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.72
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.72
YPA(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-
PHENYL)-2-ETHOXY-PROPIONIC ACID		A1KNU0.71
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.78
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.78
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.78
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.78
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.78
PQQPYRROLOQUINOLINE QUINONEA1KV90.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.78
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.78
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.78
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.78
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.78
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.78
PQQPYRROLOQUINOLINE QUINONEA1KB00.78
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.78
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.78
PQQPYRROLOQUINOLINE QUINONEA,C1G720.78
RX3N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-
2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-
L-TRYPTOPHAN		A2OC20.71
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.71
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.72
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.71
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.72
TRO2-HYDROXY-TRYPTOPHANA1KB00.72
TRO2-HYDROXY-TRYPTOPHANA1G3P0.72
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid		A3A1L0.72
8IN[3-(1-BENZYL-3-CARBAMOYLMETHYL-
2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-
]-PHOSPHONIC ACID		A1DB40.7
IOGN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-
1H-INDOL-3-YL]ACETAMIDE		A2IOG0.7
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID		A,D1RDT0.7
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID		A,D1FM90.7
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide		A3D0B0.73
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE		A,B2DXS0.71
V25ethyl 3-[(E)-2-amino-1-cyanoethenyl]-
6,7-dichloro-1-methyl-1H-indole-
2-carboxylate		A2VAG0.72
DUO4-HYDROXY-2,8-DIMETHYL-1-OXO-6-
(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-
1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA-
AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER		B107D0.7
FLXN-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL-
(R)-[1-AMINO-2(1H-INDOL-3-YL)ETHYL]-
PHOSPHONIC ACID		A4AIG0.74
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.72
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.72
3IL3-(INDOL-3-YL) LACTATEA2A7P0.72
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z		3A0H0.78
PHOPHEOPHYTIN AZ1W5C0.78
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.78
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.78
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.78
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W		1IZL0.78
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V		1S5L0.78
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R		1ILX0.78
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R		1FE10.78
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.78
240(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID		A,B2Q590.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.73
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.72
DSA4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-
1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-
3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER		A1DSM0.7
DSA4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-
1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-
3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER		B1DSA0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.76
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.76
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.76
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.76
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.76
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.76
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.76
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.76
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.72
DSI4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-
8-METHYL-3,6,7,8-TETRAHYDRO-3,6-
DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER		B1DSI0.75
4P54H-furo[3,2-b]pyrrole-5-carboxylic acidA,B,C,D3CUK0.7
MOCCARBAMIC ACID 2,6-DIAMINO-5-METHYL-
4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-
3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER		A199D0.7
CP4BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-
AMINOETHYL]-ETHYLENE GLYCOL		A,B1EM60.7
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.76
BPHBACTERIOPHEOPHYTIN A1,2,3,5,6,7,
8,A,B,D,E,F,
G,H,I,J,K,L,
M,N,P,R,S,T,
U,V,W,Y		1PYH0.76
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.76
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.76
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.76
BPHBACTERIOPHEOPHYTIN AL,M1YF60.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.76
BPHBACTERIOPHEOPHYTIN AC1E140.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.76
BPHBACTERIOPHEOPHYTIN AL,M1PST0.76
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.76
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.76
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.76
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.76
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.76
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.76
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.76
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.76
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.76
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.76
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.76
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.76
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.76
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.76
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.76
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.76
BPHBACTERIOPHEOPHYTIN AC1E6D0.76
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.76
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.76
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.76
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.76
BPHBACTERIOPHEOPHYTIN AL,M1JH00.76
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.76
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.76
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.76
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.76
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.76
BPHBACTERIOPHEOPHYTIN AL,M1YST0.76
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.76
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.76
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.76
3CS3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-
IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-
1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID		A,B,C,D,E,F2Q7R0.72
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.75
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.71