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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00571693

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-TRINITROTOLUENEA1GVR0.76
CRIA,B1VKG0.73
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.77
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.72
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
BHOBENZHYDROXAMIC ACIDA,B1GX20.74
BHOBENZHYDROXAMIC ACIDA1HSR0.74
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.74
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.74
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.74
BHOBENZHYDROXAMIC ACIDA3GCK0.74
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.74
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.72
3AB3-aminobenzamideA,B,C,D3GOY0.84
DPZ3,5-DIAMINOPHTHALHYDRAZIDEA1F3E0.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
TSNTRICHOSTATIN AA,B1T640.74
TSNTRICHOSTATIN AA,B1C3R0.74
TSNTRICHOSTATIN AA,B,C3F0R0.74
TSNTRICHOSTATIN AA,B,C3C100.74
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1XI20.76
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1ZX10.76
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1IDT0.76
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B2BZS0.76
NID4-NITRO-INDEN-1-ONEA,B1DOH0.81
SN25-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-
DINTRO-BENZAMIDE
A,B1OO60.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.7
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.71