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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01771295

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2052-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-
6-CARBOXYLIC ACID
A,B2F8I0.72
QUNQUINACRINEA,B1JQE0.7
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
A,B2FV50.74
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE
A,B2DXS0.72
W032,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-
PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]-
PHENOL
1,41QJY0.73
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.73
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1K740.72
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,C,E,G1K7L0.72
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.75
QNDQUINALDIC ACIDA,B1IDA0.8
GW4N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-
3-{4-[2-(5-METHYL-2-PHENYL-1,3-
OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE
A,B2POB0.72
MMB(2R,3E)-2-{4-[(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)METHOXY]BENZYL}-
3-(PROPOXYIMINO)BUTANOIC ACID
A,C2NPA0.75
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,F2Q7R0.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
C2JQ70.73
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
B1OLN0.73
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
A1E9W0.73
NVCN-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-
2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-
N-hydroxyformamide
A3E3U0.71
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.71
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.7
EHA(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-
1H-INDOL-1-YL)ACETIC ACID
A2F4B0.7
QNC2-CARBONYLQUINOLINEA,B1MTB0.77
QNC2-CARBONYLQUINOLINEA,B2FGV0.77
QNC2-CARBONYLQUINOLINEI1IVQ0.77
QNC2-CARBONYLQUINOLINEA,B2FGU0.77
QNC2-CARBONYLQUINOLINEA1JLD0.77
QNC2-CARBONYLQUINOLINEA,B1HXB0.77
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
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
550methyl (1R,2S)-2-(hydroxycarbamoyl)-
1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
A,B3EDZ0.72
3382-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-
BENZOOXAZOL-6-OL
A,B1U3R0.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.72
615(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-
4-yl)methoxy]benzyl}cyclopropane-
1,2-dicarboxamide
A,B3E8R0.73
MR62-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLEA,B2QGE0.82
L92(2S)-3-{4-[3-(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)PROPYL]PHENYL}-
2-(1H-PYRROL-1-YL)PROPANOIC ACID
A2Q8S0.71
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
A2AYW0.71
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID
A,B1PBQ0.76
6691-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-
1H-INDOLE-2-CARBOXYLIC ACID
A1MZS0.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.72
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.72
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.72
0412-(3-FLUORO-4-HYDROXYPHENYL)-7-
VINYL-1,3-BENZOXAZOL-5-OL
A,B1X7B0.73
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
HQC3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-
AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
4-OXO-BUTYRI ACID
A1RWP0.71
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUK0.72
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.82
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE
A,B2H960.75
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDU0.73
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A2D550.71
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A1DSC0.71
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A,B1A7Z0.71
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A,B1OVF0.71
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
C,D1MNV0.71
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A,B,C,D1I3W0.71
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A,B,C1A7Y0.71
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A,B173D0.71
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A,B1FJA0.71
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A1DSD0.71
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
B1L1V0.71
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE
A,B,C1QFI0.71
BRFA1UUO0.71
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDV0.72
GNFN~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-
N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-
L-ALANINAMIDE
A,B2F1G0.7
REW(2S,3S)-1-(4-METHOXYPHENYL)-3-(3-
(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-
4-OXOAZETIDINE-2-CARBOXYLIC ACID
A2REW0.73
MR54-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOLA,B2QGD0.72
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.75
MR44-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOLA,B2QGC0.76
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.7
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.72
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.7
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.72
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.71