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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02404629

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.79
3AB3-aminobenzamideA,B,C,D3GOY0.72
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.7
34A3,4-DIMETHYLANILINEA1L4K0.74
URSN-PHENYLTHIOUREAA,B1BUG0.77
5AN3,5-DIFLUOROANILINEA1LGX0.84
SANSULFANILAMIDEA1AJ00.77
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
1AN2-FLUOROANILINEA1LGW0.86
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
NINDINITROPHENYLENEA1RSM0.77
NINDINITROPHENYLENEA1GVY0.77
NINDINITROPHENYLENEA1GW10.77
PRY2-PROPYL-ANILINEA1OWY0.77
NBZNITROBENZENEA,B2BMQ0.8
NBZNITROBENZENEA,B3BGU0.8
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
3NT3-NITROTOLUENEA,B2BMR0.72
3NT3-NITROTOLUENEA,B2HMO0.72
1MRN-METHYLANILINEX2OTZ0.77
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.74
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
PBZP-AMINO BENZAMIDINEA,B2BDG0.75
PBZP-AMINO BENZAMIDINEA1RFN0.75
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.75
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.75
PBZP-AMINO BENZAMIDINEA1FIZ0.75
PBZP-AMINO BENZAMIDINEA1FIW0.75
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.75
PL01-phenylguanidineA2O8W0.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.88
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.76
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.76
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.78
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.78
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
264(phenylamino)acetonitrileA2RBN0.75
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
NYLN-ALLYL-ANILINEA1OVK0.75
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.88
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.79
NBENITROSOBENZENEA1LH70.85
NBENITROSOBENZENEA2LH70.85
NBENITROSOBENZENEA2NSS0.85
BSU1,3-DIPHENYLUREAA3E850.78
BSU1,3-DIPHENYLUREAA2ZJF0.78
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
PHZ1-PHENYLHYDRAZINEA2E2T0.82
PHZ1-PHENYLHYDRAZINED,H2AGL0.82
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
ANLANILINEA2OV40.9
ANLANILINEA1AEE0.9
ANLANILINEA1PPA0.9
ANLANILINEA1HJ90.9