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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00306237

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.72
MTKMONTELUKASTA2NNI0.72
DD35-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-
2,4-diamine
A,B3BLA0.73
9912-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
A1O2Q0.72
615(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-
4-yl)methoxy]benzyl}cyclopropane-
1,2-dicarboxamide
A,B3E8R0.71
7414-[[3-chloro-4-(1-methylimidazol-
2-yl)sulfanyl-phenyl]amino]-7-[3-
(2-hydroxyethyl-methyl-amino)propoxy]-
6-methoxy-quinoline-3-carbonitrile
A,B,C,D,E,F,
G,H,I,J,K,L,
M,R,S,T
3F5P0.7
QUMQUINACRINE MUSTARDA,B1GXF0.76
GW7N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-
6-ethylthieno[3,2-d]pyrimidin-4-
amine
A,B2R4B0.7
A4L9-[(5-(ACETYLAMINO)-6-{[(1S,4R)-
8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)-
5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]-
1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}-
6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM
A,B1XCS0.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.7
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.7
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.7
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.7
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.7
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL
A,B2AOU0.71
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.72
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B2OP10.7
8PC2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-
2-YLMETHYL)PHENOL
A,B,C,D3FNE0.7
QUNQUINACRINEA,B1JQE0.82
2CS3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-
5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-
2-YL]-2,2-DIMETHYLPROPANOIC ACID
A,C,D,E2Q7M0.77