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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02384198

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.81
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.77
3NT3-NITROTOLUENEA,B2BMR0.85
3NT3-NITROTOLUENEA,B2HMO0.85
PBZP-AMINO BENZAMIDINEA,B2BDG0.7
PBZP-AMINO BENZAMIDINEA1RFN0.7
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.7
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.7
PBZP-AMINO BENZAMIDINEA1FIZ0.7
PBZP-AMINO BENZAMIDINEA1FIW0.7
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.7
NIT4-NITROANILINEC,D1RMH0.81
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.81
NIT4-NITROANILINEB1VBS0.81
NIT4-NITROANILINEC1V9T0.81
NIT4-NITROANILINEC,D1VBT0.81
NIT4-NITROANILINEB1LOP0.81
NIT4-NITROANILINEC,D1ZKF0.81
NIT4-NITROANILINEB1PIP0.81
34A3,4-DIMETHYLANILINEA1L4K0.73
NINDINITROPHENYLENEA1RSM0.75
NINDINITROPHENYLENEA1GVY0.75
NINDINITROPHENYLENEA1GW10.75
PRY2-PROPYL-ANILINEA1OWY0.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.84
PNZP-NITRO-BENZYLAMINEA,B2C700.84
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.74
HFTHYDROXYFLUTAMIDEA2AX60.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
1AN2-FLUOROANILINEA1LGW0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.76
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.76
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.79
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.81
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.81
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.81
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.81
NBZNITROBENZENEA,B2BMQ0.77
NBZNITROBENZENEA,B3BGU0.77
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
5AN3,5-DIFLUOROANILINEA1LGX0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.7
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.76
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.74