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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00742589

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.76
BHOBENZHYDROXAMIC ACIDA,B1GX20.7
BHOBENZHYDROXAMIC ACIDA1HSR0.7
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.7
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.7
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.7
BHOBENZHYDROXAMIC ACIDA3GCK0.7
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.7
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.73
3AB3-aminobenzamideA,B,C,D3GOY0.73
NID4-NITRO-INDEN-1-ONEA,B1DOH0.84
TSNTRICHOSTATIN AA,B1T640.74
TSNTRICHOSTATIN AA,B1C3R0.74
TSNTRICHOSTATIN AA,B,C3F0R0.74
TSNTRICHOSTATIN AA,B,C3C100.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.71
PNZP-NITRO-BENZYLAMINEA,B2C700.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.77
4NB4-NITROBENZOIC ACIDA,B3CHT0.77