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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005755

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
1AN2-FLUOROANILINEA1LGW1
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.7
PNZP-NITRO-BENZYLAMINEA,B2C700.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.9
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
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.77
NINDINITROPHENYLENEA1RSM0.75
NINDINITROPHENYLENEA1GVY0.75
NINDINITROPHENYLENEA1GW10.75
ANLANILINEA2OV40.96
ANLANILINEA1AEE0.96
ANLANILINEA1PPA0.96
ANLANILINEA1HJ90.96
264(phenylamino)acetonitrileA2RBN0.76
NBZNITROBENZENEA,B2BMQ0.79
NBZNITROBENZENEA,B3BGU0.79
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.86
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.86
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.86
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.86
ISOPARA-ISOPROPYLANILINEA1BMA0.78
ISOPARA-ISOPROPYLANILINEA,B1ELC0.78
ISOPARA-ISOPROPYLANILINEA,B1ELB0.78
ISOPARA-ISOPROPYLANILINEA,B1ELA0.78
PHZ1-PHENYLHYDRAZINEA2E2T0.84
PHZ1-PHENYLHYDRAZINED,H2AGL0.84
5AN3,5-DIFLUOROANILINEA1LGX0.97
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
34A3,4-DIMETHYLANILINEA1L4K0.78
PL01-phenylguanidineA2O8W0.76
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.78
NYLN-ALLYL-ANILINEA1OVK0.79
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.87
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.81
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.8
XYD2,5-DIMETHYLANILINEA1L4L0.8
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.74
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.74
PRY2-PROPYL-ANILINEA1OWY0.81
SANSULFANILAMIDEA1AJ00.76
URSN-PHENYLTHIOUREAA,B1BUG0.76
NBENITROSOBENZENEA1LH70.85
NBENITROSOBENZENEA2LH70.85
NBENITROSOBENZENEA2NSS0.85
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
1MRN-METHYLANILINEX2OTZ0.81
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.75
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.9
3NT3-NITROTOLUENEA,B2BMR0.71
3NT3-NITROTOLUENEA,B2HMO0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74