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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01360225

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.72
BH1BACTERIOPHEOPHYTINA,B2BNS0.72
BH1BACTERIOPHEOPHYTINA,B2BNP0.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.71
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.71
CIA6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-
2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-
B]INDOLE-1,4-DIONE
A,B1UDU0.71
CIA6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-
2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-
B]INDOLE-1,4-DIONE
A1XOZ0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.71
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE
A,B2DXS0.72
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one
A1S1J0.74
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
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
A2BRL0.7
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.72
TRO2-HYDROXY-TRYPTOPHANA1KB00.71
TRO2-HYDROXY-TRYPTOPHANA1G3P0.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.74
550methyl (1R,2S)-2-(hydroxycarbamoyl)-
1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
A,B3EDZ0.71
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.75
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
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE
A,B,C,D1H690.71
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate
A,B,C,D3DEI0.72
QNDQUINALDIC ACIDA,B1IDA0.71
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.74
BRFA1UUO0.72
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.71
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.71
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.73
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.71
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.74
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.82
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.82
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.82
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.82
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.82
PQQPYRROLOQUINOLINE QUINONEA1KV90.82
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.82
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.82
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.82
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.82
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.82
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.82
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.82
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.82
PQQPYRROLOQUINOLINE QUINONEA1KB00.82
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.82
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.82
PQQPYRROLOQUINOLINE QUINONEA,C1G720.82
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID
A1OM10.7
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.7
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.72
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.71
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.72
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan
A3BKL0.7
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER
A,B1M490.71
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z
3A0H0.74
PHOPHEOPHYTIN AZ1W5C0.74
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.74
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.74
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.74
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W
1IZL0.74
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V
1S5L0.74
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1ILX0.74
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1FE10.74
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.74
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.75
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGF0.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGG0.71
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.72
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
A,B2FV50.71
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.73
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.7
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.7
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,F2Q7R0.72
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
225FELODIPINEA2NNJ0.71
642(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-
4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-
1-carboxylic acid
A,B3EWJ0.7