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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02316769

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.91
URSN-PHENYLTHIOUREAA,B1BUG0.77
5AN3,5-DIFLUOROANILINEA1LGX0.84
3AB3-aminobenzamideA,B,C,D3GOY0.7
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.79
NINDINITROPHENYLENEA1RSM0.75
NINDINITROPHENYLENEA1GVY0.75
NINDINITROPHENYLENEA1GW10.75
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.73
34A3,4-DIMETHYLANILINEA1L4K0.77
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.71
NIT4-NITROANILINEC,D1RMH0.82
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.82
NIT4-NITROANILINEB1VBS0.82
NIT4-NITROANILINEC1V9T0.82
NIT4-NITROANILINEC,D1VBT0.82
NIT4-NITROANILINEB1LOP0.82
NIT4-NITROANILINEC,D1ZKF0.82
NIT4-NITROANILINEB1PIP0.82
ISOPARA-ISOPROPYLANILINEA1BMA0.77
ISOPARA-ISOPROPYLANILINEA,B1ELC0.77
ISOPARA-ISOPROPYLANILINEA,B1ELB0.77
ISOPARA-ISOPROPYLANILINEA,B1ELA0.77
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.74
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
NBENITROSOBENZENEA1LH70.83
NBENITROSOBENZENEA2LH70.83
NBENITROSOBENZENEA2NSS0.83
3NT3-NITROTOLUENEA,B2BMR0.7
3NT3-NITROTOLUENEA,B2HMO0.7
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.78
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.73
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.73
PHZ1-PHENYLHYDRAZINEA2E2T0.85
PHZ1-PHENYLHYDRAZINED,H2AGL0.85
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.74
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.74
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.77
BSU1,3-DIPHENYLUREAA3E850.75
BSU1,3-DIPHENYLUREAA2ZJF0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.81
1MRN-METHYLANILINEX2OTZ0.8
1AN2-FLUOROANILINEA1LGW0.87
SANSULFANILAMIDEA1AJ00.79
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.91
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.72
PRY2-PROPYL-ANILINEA1OWY0.8
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.75
NYLN-ALLYL-ANILINEA1OVK0.78
NBZNITROBENZENEA,B2BMQ0.78
NBZNITROBENZENEA,B3BGU0.78
264(phenylamino)acetonitrileA2RBN0.77
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.79
XYD2,5-DIMETHYLANILINEA1L4L0.79
ANLANILINEA2OV40.9
ANLANILINEA1AEE0.9
ANLANILINEA1PPA0.9
ANLANILINEA1HJ90.9