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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01745101

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RXP1-BENZYLOXYCARBONYLAMINO-2-PHENYL-
ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-
3-YL)-ETHYLCARBAMOYL]-5-PHENYL-
PENTYL}-PHOSPHINIC ACID		A,B,C,D,E,F1HV50.71
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.78
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.71
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.71
IOGN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-
1H-INDOL-3-YL]ACETAMIDE		A2IOG0.71
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.77
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole		A,B2R0G0.72
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.71
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.72
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.73
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.73
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.73
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.73
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.73
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.73
PQQPYRROLOQUINOLINE QUINONEA1KV90.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.73
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.73
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.73
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.73
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.73
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.73
PQQPYRROLOQUINOLINE QUINONEA1KB00.73
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.73
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.73
PQQPYRROLOQUINOLINE QUINONEA,C1G720.73
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.77
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.72
2885-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-
(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-
AMIDE		A,B1XOI0.7
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.71
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide		A,B2ZB20.72
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.72
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		1PYH0.72
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.72
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.72
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.72
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.72
BPHBACTERIOPHEOPHYTIN AL,M1YF60.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.72
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.72
BPHBACTERIOPHEOPHYTIN AC1E140.72
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.72
BPHBACTERIOPHEOPHYTIN AL,M1PST0.72
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.72
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.72
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.72
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.72
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.72
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.72
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.72
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.72
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.72
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.72
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.72
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.72
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.72
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.72
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.72
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.72
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.72
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.72
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.72
BPHBACTERIOPHEOPHYTIN AC1E6D0.72
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.72
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.72
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.72
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.72
BPHBACTERIOPHEOPHYTIN AL,M1JH00.72
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.72
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.72
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.72
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.72
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.72
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.72
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.72
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.72
BPHBACTERIOPHEOPHYTIN AL,M1YST0.72
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.72
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.72
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
627N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-
C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-
1-YL)BENZAMIDE		A,B2J500.7
627N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-
C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-
1-YL)BENZAMIDE		A,B2V7A0.7
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.72
B4Cbenzyl [(1S)-5-amino-1-{[(1S)-1-
({(1S)-5-amino-1-[(S)-1,3-benzoxazol-
2-yl(hydroxy)methyl]pentyl}carbamoyl)-
3-phenylpropyl]carbamoyl}pentyl]carbamate		B3E160.7
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.7
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL		H,I1AIX0.71
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.71
4IN4-AMINO-L-TRYPTOPHANA1OXF0.71
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.83
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.72
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.72
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.72
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.72
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.72
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.72
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.72
CP4BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-
AMINOETHYL]-ETHYLENE GLYCOL		A,B1EM60.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.72
1103-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-
3-[(4-OXO-2-PHENYLMETHANESULFONYL-
1,2,3,4-TETRAHYDRO-PYRROLO[1,2-
A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER		A1G370.71
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.71
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER		A,B1M490.72
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.71
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z		3A0H0.72
PHOPHEOPHYTIN AZ1W5C0.72
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.72
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.72
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.72
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W		1IZL0.72
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V		1S5L0.72
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R		1ILX0.72
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R		1FE10.72
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.72
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1L5Q0.7
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1EXV0.7
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1L5S0.7
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1L7X0.7
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1L5R0.7
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM		B1LPG0.71
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM		A1LQE0.71
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
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.75
TRO2-HYDROXY-TRYPTOPHANA1KB00.7
TRO2-HYDROXY-TRYPTOPHANA1G3P0.7
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE		A1KCI0.72
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.7
V25ethyl 3-[(E)-2-amino-1-cyanoethenyl]-
6,7-dichloro-1-methyl-1H-indole-
2-carboxylate		A2VAG0.73
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
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.75
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.71
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.71
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.71
LI33-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-
4-YLBENZAMIDE		A1WBV0.7
710(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-
1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-
2H-1,2,3-TRIAZOL-4-YL)METHANOL		A2HOG0.7
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE		A,B2BQ70.74
DSI4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-
8-METHYL-3,6,7,8-TETRAHYDRO-3,6-
DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER		B1DSI0.74
3DE3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-
4-CARBOXYLIC ACID ETHYL ESTER		A,B1Y2C0.7
RX3N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-
2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-
L-TRYPTOPHAN		A2OC20.7
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.7