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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007050

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.73
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.77
264(phenylamino)acetonitrileA2RBN0.76
BSU1,3-DIPHENYLUREAA3E850.71
BSU1,3-DIPHENYLUREAA2ZJF0.71
34A3,4-DIMETHYLANILINEA1L4K0.77
PBZP-AMINO BENZAMIDINEA,B2BDG0.74
PBZP-AMINO BENZAMIDINEA1RFN0.74
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.74
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.74
PBZP-AMINO BENZAMIDINEA1FIZ0.74
PBZP-AMINO BENZAMIDINEA1FIW0.74
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.77
ISOPARA-ISOPROPYLANILINEA,B1ELC0.77
ISOPARA-ISOPROPYLANILINEA,B1ELB0.77
ISOPARA-ISOPROPYLANILINEA,B1ELA0.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.89
NIT4-NITROANILINEC,D1RMH0.8
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.8
NIT4-NITROANILINEB1VBS0.8
NIT4-NITROANILINEC1V9T0.8
NIT4-NITROANILINEC,D1VBT0.8
NIT4-NITROANILINEB1LOP0.8
NIT4-NITROANILINEC,D1ZKF0.8
NIT4-NITROANILINEB1PIP0.8
NINDINITROPHENYLENEA1RSM0.74
NINDINITROPHENYLENEA1GVY0.74
NINDINITROPHENYLENEA1GW10.74
3NT3-NITROTOLUENEA,B2BMR0.7
3NT3-NITROTOLUENEA,B2HMO0.7
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
5AN3,5-DIFLUOROANILINEA1LGX0.99
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.79
SANSULFANILAMIDEA1AJ00.76
ANLANILINEA2OV40.94
ANLANILINEA1AEE0.94
ANLANILINEA1PPA0.94
ANLANILINEA1HJ90.94
URSN-PHENYLTHIOUREAA,B1BUG0.76
PL01-phenylguanidineA2O8W0.75
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.73
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.71
1MRN-METHYLANILINEX2OTZ0.8
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.89
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.72
PHZ1-PHENYLHYDRAZINEA2E2T0.83
PHZ1-PHENYLHYDRAZINED,H2AGL0.83
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.8
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.87
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.87
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.87
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.87
PRY2-PROPYL-ANILINEA1OWY0.8
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.74
NYLN-ALLYL-ANILINEA1OVK0.78
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.86
NBZNITROBENZENEA,B2BMQ0.78
NBZNITROBENZENEA,B3BGU0.78
NBENITROSOBENZENEA1LH70.84
NBENITROSOBENZENEA2LH70.84
NBENITROSOBENZENEA2NSS0.84
1AN2-FLUOROANILINEA1LGW0.99
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.79
XYD2,5-DIMETHYLANILINEA1L4L0.79