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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02220319

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.71
FIL(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-
(AMINOCARBONYL)OXIME
A,B1XLZ0.72
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.7
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.71
CTF(17beta)-17-(cyanomethyl)-2-methoxyestra-
1(10),2,4-trien-3-yl sulfamate
A3BET0.71
3A3A2CGU0.71
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.76
SNB1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY-
3,4-DIHYDROISOQUINOLINE
A2WAJ0.77
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL
X1H460.75
PO1(9BETA,13ALPHA,14BETA,17ALPHA)-
2-METHOXYESTRA-1,3,5(10)-TRIENE-
3,17-DIYL DISULFAMATE
A2GD80.71
MOI(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-
HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-
E]ISOQUINOLINE-7,9-DIOL
H,L1Q0Y0.7
REN(S)-reticulineA3FWA0.79
REN(S)-reticulineA3D2D0.79
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE
B166D0.71
DPDA,B1QIW0.75
DPDA1QIV0.75