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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00362227

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MBC2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE		A2I2I0.71
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.7
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T		2VUM0.7
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.7
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.75
E896-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-
1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-
8-ONE		A,D1Y5X0.71
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.73
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.7
TRO2-HYDROXY-TRYPTOPHANA1KB00.71
TRO2-HYDROXY-TRYPTOPHANA1G3P0.71
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM		B1LPG0.72
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM		A1LQE0.72
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z		3A0H0.71
PHOPHEOPHYTIN AZ1W5C0.71
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.71
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.71
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.71
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W		1IZL0.71
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V		1S5L0.71
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R		1ILX0.71
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R		1FE10.71
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.71
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
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.7
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.7
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.72
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.72
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.72
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.72
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.72
PQQPYRROLOQUINOLINE QUINONEA1KV90.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.72
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.72
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.72
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.72
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.72
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.72
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.72
PQQPYRROLOQUINOLINE QUINONEA1KB00.72
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.72
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.72
PQQPYRROLOQUINOLINE QUINONEA,C1G720.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.7
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.7
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.7
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.7
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.7
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.7
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.7
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.74
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.7
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.7
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL		H,I1AIX0.71
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.83
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
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.72
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.74
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.7
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		1PYH0.7
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.7
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.7
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.7
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.7
BPHBACTERIOPHEOPHYTIN AL,M1YF60.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.7
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.7
BPHBACTERIOPHEOPHYTIN AC1E140.7
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.7
BPHBACTERIOPHEOPHYTIN AL,M1PST0.7
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.7
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.7
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.7
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.7
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.7
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.7
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.7
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.7
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.7
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.7
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.7
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.7
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.7
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.7
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.7
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.7
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.7
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.7
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.7
BPHBACTERIOPHEOPHYTIN AC1E6D0.7
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.7
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.7
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.7
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.7
BPHBACTERIOPHEOPHYTIN AL,M1JH00.7
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.7
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.7
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.7
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.7
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.7
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.7
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.7
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.7
BPHBACTERIOPHEOPHYTIN AL,M1YST0.7
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.7
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.7
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER		A,B1M490.72
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole		A,B2R0G0.73
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.71
DTRD-TRYPTOPHANA,B,C,D2R3C0.71
DTRD-TRYPTOPHANA1XY80.71
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.71
DTRD-TRYPTOPHANA2V7K0.71
DTRD-TRYPTOPHANA,D1CZQ0.71
DTRD-TRYPTOPHANA1DFY0.71
DTRD-TRYPTOPHANA1XY50.71
DTRD-TRYPTOPHANA1NXN0.71
DTRD-TRYPTOPHANA1TKF0.71
DTRD-TRYPTOPHANA1YL90.71
DTRD-TRYPTOPHANA1XXZ0.71
DTRD-TRYPTOPHANA1XY40.71
DTRD-TRYPTOPHANA,D2Q3I0.71
DTRD-TRYPTOPHANA1QFB0.71
DTRD-TRYPTOPHANA1DFZ0.71
DTRD-TRYPTOPHANA1XY90.71
DTRD-TRYPTOPHANA1XY60.71
DTRD-TRYPTOPHANA2SOC0.71
DTRD-TRYPTOPHANA2JUE0.71
DTRD-TRYPTOPHANA1SOC0.71
DTRD-TRYPTOPHANA1YL80.71
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.71
DTRD-TRYPTOPHANA,B2Q330.71
DTRD-TRYPTOPHANA1DG00.71
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.71
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.7
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide		A3D0B0.73
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.72
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.79
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE		A,B2BQ70.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.72
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.72
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.7
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.8
DSI4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-
8-METHYL-3,6,7,8-TETRAHYDRO-3,6-
DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER		B1DSI0.73
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.74
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.72
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.74
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.7
9DI9-DEAZAINOSINEA1A9P0.7
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.72
4IN4-AMINO-L-TRYPTOPHANA1OXF0.72
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.72
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.74
V25ethyl 3-[(E)-2-amino-1-cyanoethenyl]-
6,7-dichloro-1-methyl-1H-indole-
2-carboxylate		A2VAG0.74
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.71
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.71