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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024411

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
3AB3-aminobenzamideA,B,C,D3GOY0.77
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.71
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.74
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.73
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.75
IBRA9EST0.7
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.72
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
TSNTRICHOSTATIN AA,B1T640.72
TSNTRICHOSTATIN AA,B1C3R0.72
TSNTRICHOSTATIN AA,B,C3F0R0.72
TSNTRICHOSTATIN AA,B,C3C100.72
NID4-NITRO-INDEN-1-ONEA,B1DOH0.9
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.72
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.71