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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02256390

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
NYLN-ALLYL-ANILINEA1OVK0.8
5AN3,5-DIFLUOROANILINEA1LGX0.73
NINDINITROPHENYLENEA1RSM0.7
NINDINITROPHENYLENEA1GVY0.7
NINDINITROPHENYLENEA1GW10.7
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.77
264(phenylamino)acetonitrileA2RBN0.8
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.73
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.7
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.7
DPKDEPRENYLA,B2BYB0.71
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
PRY2-PROPYL-ANILINEA1OWY0.74
1MRN-METHYLANILINEX2OTZ0.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.7
PHZ1-PHENYLHYDRAZINEA2E2T0.79
PHZ1-PHENYLHYDRAZINED,H2AGL0.79
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.73
NIT4-NITROANILINEC,D1RMH0.7
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.7
NIT4-NITROANILINEB1VBS0.7
NIT4-NITROANILINEC1V9T0.7
NIT4-NITROANILINEC,D1VBT0.7
NIT4-NITROANILINEB1LOP0.7
NIT4-NITROANILINEC,D1ZKF0.7
NIT4-NITROANILINEB1PIP0.7
NBENITROSOBENZENEA1LH70.77
NBENITROSOBENZENEA2LH70.77
NBENITROSOBENZENEA2NSS0.77
1AN2-FLUOROANILINEA1LGW0.76
NBZNITROBENZENEA,B2BMQ0.72
NBZNITROBENZENEA,B3BGU0.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.77
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
34A3,4-DIMETHYLANILINEA1L4K0.71