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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00522398

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.71
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.71
BMSA,B1DKF0.73
7HI(3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-
2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-
1(4H)-yl]-3,5-dihydroxyheptanoic acid		A,B,C,D3CD50.7
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE		A1KCI0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.76
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.75
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.78
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE		A,B2BQ70.71
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.7
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.75
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.75
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.75
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.75
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.75
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.75
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.75
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.75
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.74
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
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.71
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.71
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE		A,B2DXS0.7
225FELODIPINEA2NNJ0.73
TRO2-HYDROXY-TRYPTOPHANA1KB00.71
TRO2-HYDROXY-TRYPTOPHANA1G3P0.71
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.72
678(3-{5-[AMINO(IMINIO)METHYL]-1H-
INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE		A1O3L0.7
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.76
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.75
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		1PYH0.75
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.75
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.75
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.75
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.75
BPHBACTERIOPHEOPHYTIN AL,M1YF60.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.75
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.75
BPHBACTERIOPHEOPHYTIN AC1E140.75
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.75
BPHBACTERIOPHEOPHYTIN AL,M1PST0.75
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.75
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.75
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.75
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.75
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.75
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.75
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.75
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.75
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.75
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.75
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.75
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.75
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.75
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.75
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.75
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.75
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.75
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.75
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.75
BPHBACTERIOPHEOPHYTIN AC1E6D0.75
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.75
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.75
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.75
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.75
BPHBACTERIOPHEOPHYTIN AL,M1JH00.75
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.75
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.75
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.75
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.75
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.75
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.75
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.75
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.75
BPHBACTERIOPHEOPHYTIN AL,M1YST0.75
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.75
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.75
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.75
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.72
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide		A,B2ZB20.72
BRFA1UUO0.7
S55METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-
D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-
TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-
3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE		A,B2JF60.71
S55METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-
D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-
TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-
3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE		A,B2V910.71
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.72
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.71
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.71
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
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.72
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.72
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A465D0.7
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A452D0.7
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.73
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID		A1DB50.71
8249-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE		A1X8B0.71
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide		A3D0B0.74
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.76
IOGN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-
1H-INDOL-3-YL]ACETAMIDE		A2IOG0.7
V25ethyl 3-[(E)-2-amino-1-cyanoethenyl]-
6,7-dichloro-1-methyl-1H-indole-
2-carboxylate		A2VAG0.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.73
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.8
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.72
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.77
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.75
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.71
BH1BACTERIOPHEOPHYTINA,B2BNS0.71
BH1BACTERIOPHEOPHYTINA,B2BNP0.71
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER		A,B1M490.71
3733-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-
2(1H)-ONE		A2HXQ0.7
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,F2Q7R0.7
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.74
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.7
BCBBACTERIOCHLOROPHYLL BC,H,L,M5PRC0.7
BCBBACTERIOCHLOROPHYLL BC,H,L,M2I5N0.7
BCBBACTERIOCHLOROPHYLL BC,H,L,M1PRC0.7
BCBBACTERIOCHLOROPHYLL BC,H,L,M,U1DXR0.7
BCBBACTERIOCHLOROPHYLL BC,H,L,M6PRC0.7
BCBBACTERIOCHLOROPHYLL BC,H,L,M2JBL0.7
BCBBACTERIOCHLOROPHYLL BC,H,L,M3PRC0.7
BCBBACTERIOCHLOROPHYLL BC,H,L,M1R2C0.7
BCBBACTERIOCHLOROPHYLL BC,H,L,M2PRC0.7
BCBBACTERIOCHLOROPHYLL BC,H,L,M3D380.7
BCBBACTERIOCHLOROPHYLL BC,H,L,M1VRN0.7
BCBBACTERIOCHLOROPHYLL BC,H,L,M7PRC0.7
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.72
4IN4-AMINO-L-TRYPTOPHANA1OXF0.72
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.75
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.79
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.76
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.76
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.76
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.76
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.76
PQQPYRROLOQUINOLINE QUINONEA1KV90.76
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.76
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.76
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.76
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.76
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.76
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.76
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.76
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.76
PQQPYRROLOQUINOLINE QUINONEA1KB00.76
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.76
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.76
PQQPYRROLOQUINOLINE QUINONEA,C1G720.76
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.7
IOPINDOLYLPROPIONIC ACIDA2OLI0.7
IOPINDOLYLPROPIONIC ACIDA,B2AY50.7
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z		3A0H0.75
PHOPHEOPHYTIN AZ1W5C0.75
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.75
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.75
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.75
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W		1IZL0.75
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V		1S5L0.75
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R		1ILX0.75
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R		1FE10.75
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.75
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.71
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.7