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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00327281

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4976-[AMINO(IMINO)METHYL]-N-[(4R)-
4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
6-YL]-2-NAPHTHAMIDE
A1OWD0.84
3581-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-
7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-
2(1H)-ONE
A1OVE0.8
575(4Z)-6-bromo-4-({[4-(pyrrolidin-
1-ylmethyl)phenyl]amino}methylidene)isoquinoline-
1,3(2H,4H)-dione
A,B,C,D2ZM30.81
1556-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-3,4-DIHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE
A1OWJ0.76
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.76
1C23(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6T0.72
3036-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE
A1OWK0.84
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
A1OWH0.82
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.72
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone
A,B,D,E3CH60.7
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.8
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.76
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid
A,B3FMZ0.73
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.76
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE
A1OWE0.8
3AB3-aminobenzamideA,B,C,D3GOY0.71
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE
A,B1RQY0.73
314N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-
2-yl]-1-(3,5-difluorobenzyl)-2-
hydroxyethyl]-5-methyl-N,N-dipropylbenzene-
1,3-dicarboxamide
A,B3CIB0.7
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.7
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.74