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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00178188

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
105N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-
4-CARBOXYLIC ACID AMIDE] BORONIC ACID
A1JWZ0.73
105N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-
4-CARBOXYLIC ACID AMIDE] BORONIC ACID
A,B1FSY0.73
105N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-
4-CARBOXYLIC ACID AMIDE] BORONIC ACID
A1NYY0.73
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.73
L11N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-
PHENYL]-3-FLUORO-
A1W830.71
DK15,7-DICHLORO-4-HYDROXYQUINOLINE-
2-CARBOXYLIC ACID
A,B1PBQ0.7
IIA1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-
3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BOH0.75
0623-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-
L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-
OXIDE
A,B1ZRB0.72
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A2HOB0.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B2AMQ0.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B,C,D3D230.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B2Q6F0.71
BAX4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-
N-METHYLPYRIDINE-2-CARBOXAMIDE
A,B1UWH0.76
BAX4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-
N-METHYLPYRIDINE-2-CARBOXAMIDE
A,B1UWJ0.76
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE
A,B,C,D1WOK0.72
I1H3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-
4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-
4-YL)METHYL]BENZAMIDE
B2BMG0.72
A966-chloro-N-pyrimidin-5-yl-3-{[3-
(trifluoromethyl)phenyl]amino}-
1,2-benzisoxazole-7-carboxamide
A,B3DTW0.74
1FR3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-
c]pyridin-3-yl)phenyl]propan-1-
ol
A3DB80.76
IIB1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-
3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE
B2BQ60.72
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G190.7
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G1M0.7
AG74-{2-(4-FLUORO-BENZYL)-6-METHYL-
5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-
AMINO]-4-OXO-HEPTANOYLAMINO}-5-
(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
A1CQQ0.71
PLB2-[(2,4-DICHLOROBENZOYL)AMINO]-
5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
A,D3DZU0.72
PLB2-[(2,4-DICHLOROBENZOYL)AMINO]-
5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
B2Q6S0.72
PLB2-[(2,4-DICHLOROBENZOYL)AMINO]-
5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
X1WM00.72
VX14-[3-(4-chlorophenyl)-2,1-benzisoxazol-
5-yl]pyrimidin-2-amine
A3BGP0.74
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID
A,C1RHM0.7
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.7
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide
A3HNG0.72
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBT0.72
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBU0.72
5MRNALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)PHOSPHORYL]-
2-[(3-PHENYLISOXAZOL-5-YL)METHYL]PROPANOYL}-
L-TRYPTOPHANAMIDE
A,B2OVZ0.73
6C36-CHLORO-3-(3-METHYLISOXAZOL-5-
YL)-4-PHENYLQUINOLIN-2(1H)-ONE
A2I0V0.7
VRSVIRGINIAMYCIN S10,1,2,3,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
1YIT0.71
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.7
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH40.71
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH90.71
PIL3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-METHOXYBENZAMIDE
A,B1XM40.7
PIL3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-METHOXYBENZAMIDE
A,B1XON0.7