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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00521122

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.71
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.71
SANSULFANILAMIDEA1AJ00.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.78
PNZP-NITRO-BENZYLAMINEA,B2C700.78
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
PRY2-PROPYL-ANILINEA1OWY0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.7
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.7
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.7
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
NIT4-NITROANILINEC,D1RMH0.72
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.72
NIT4-NITROANILINEB1VBS0.72
NIT4-NITROANILINEC1V9T0.72
NIT4-NITROANILINEC,D1VBT0.72
NIT4-NITROANILINEB1LOP0.72
NIT4-NITROANILINEC,D1ZKF0.72
NIT4-NITROANILINEB1PIP0.72
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.72
TNL2,4,6-TRINITROTOLUENEA1GVR0.77
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.8
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine
A,B3CZR0.7