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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019652

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7DE3,5-DIMETHYL-1-(3-NITROPHENYL)-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2J0.71
7DE3,5-DIMETHYL-1-(3-NITROPHENYL)-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2K0.71
5DE1-(4-AMINOPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2E0.74
1177-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-
3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-
1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWK0.73
DRY[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-
1H-INDOL-5-YL)OXY]ACETIC ACID
A2HWQ0.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.75
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.71
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.72
6691-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-
1H-INDOLE-2-CARBOXYLIC ACID
A1MZS0.7
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
C2JQ70.72
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
B1OLN0.72
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
A1E9W0.72
3HI(3R,5R)-7-[2-(4-fluorophenyl)-4-
[(2-hydroxyphenyl)carbamoyl]-5-
(1-methylethyl)-3-phenyl-1H-pyrrol-
1-yl]-3,5-dihydroxyheptanoic acid
B,C,D3CCT0.71
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWJ0.72
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.73
L92(2S)-3-{4-[3-(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)PROPYL]PHENYL}-
2-(1H-PYRROL-1-YL)PROPANOIC ACID
A2Q8S0.73
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.78
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE
A,B,C,D1H690.76
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID
A1DB50.73
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,D3CD50.73
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.76
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.7
IMNINDOMETHACINA2BXM0.75
IMNINDOMETHACINA3FO70.75
IMNINDOMETHACINA,B,C,D1Z9H0.75
IMNINDOMETHACINA2BXQ0.75
IMNINDOMETHACINA,B,C,D4COX0.75
IMNINDOMETHACINA2ALT0.75
IMNINDOMETHACINA2OTH0.75
IMNINDOMETHACINA,B2DM60.75
IMNINDOMETHACINA1S2A0.75
IMNINDOMETHACINA2ZB80.75
IMNINDOMETHACINA3HWZ0.75
IMNINDOMETHACINA2BXK0.75
240(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
A,B2Q590.73
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.82
YPA(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-
PHENYL)-2-ETHOXY-PROPIONIC ACID
A1KNU0.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGF0.77
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGG0.77
ZAA(5-{3-[2-(5-methyl-2-phenyl-1,3-
oxazol-4-yl)ethoxy]benzyl}-2-phenyl-
2H-1,2,3-triazol-4-yl)acetic acid
A3BC50.72
BRFA1UUO0.77
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
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.77
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.71
MMB(2R,3E)-2-{4-[(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)METHOXY]BENZYL}-
3-(PROPOXYIMINO)BUTANOIC ACID
A,C2NPA0.71
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid
A3FR40.8
8IN[3-(1-BENZYL-3-CARBAMOYLMETHYL-
2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-
]-PHOSPHONIC ACID
A1DB40.7
QNDQUINALDIC ACIDA,B1IDA0.74
4DE1-(4-METHOXYPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2D0.73
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID
A1OM10.7
3DE3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-
4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2C0.73
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
A2BRL0.76
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1RDT0.72
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1FM90.72
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.75
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE
A,B2DXS0.71
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.77
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.72
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.72
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.72
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.79
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.71
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.71
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.71
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.71
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.71
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.71
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A1C8L0.72
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A2AMV0.72
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A3AMV0.72
238A2PRH0.73
REW(2S,3S)-1-(4-METHOXYPHENYL)-3-(3-
(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-
4-OXOAZETIDINE-2-CARBOXYLIC ACID
A2REW0.73
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.78
DPYA,B1JES0.72
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.71
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWI0.72
E093-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-
2-[1H-INDOLE-4,7-DIONE]-PROPANOL
A,B,C,D1GG50.72
GK3N-(3-cyanophenyl)-2'-methyl-5'-
(5-methyl-1,3,4-oxadiazol-2-yl)-
4-biphenylcarboxamide
A2ZB00.7
LCF[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-
7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-
5-YL]ACETIC ACID
A1ZYX0.73
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.73
MR62-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLEA,B2QGE0.71
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.72
EHA(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-
1H-INDOL-1-YL)ACETIC ACID
A2F4B0.71
241(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
A,B2Q5P0.73
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
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.71
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
1PYH0.71
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.71
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.71
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.71
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.71
BPHBACTERIOPHEOPHYTIN AL,M1YF60.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.71
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.71
BPHBACTERIOPHEOPHYTIN AC1E140.71
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.71
BPHBACTERIOPHEOPHYTIN AL,M1PST0.71
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.71
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.71
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.71
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.71
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.71
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.71
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.71
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.71
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.71
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.71
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.71
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.71
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.71
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.71
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.71
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.71
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.71
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.71
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.71
BPHBACTERIOPHEOPHYTIN AC1E6D0.71
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.71
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.71
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.71
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.71
BPHBACTERIOPHEOPHYTIN AL,M1JH00.71
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.71
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.71
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.71
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.71
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.71
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.71
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.71
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.71
BPHBACTERIOPHEOPHYTIN AL,M1YST0.71
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.71
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.71
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.71
6DE1-(2-CHLOROPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2H0.71
073(4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-
1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-
5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID
A,B2FJM0.73
073(4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-
1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-
5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID
A,B2FJN0.73
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.76
225FELODIPINEA2NNJ0.76
9365-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBQ0.7