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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018345

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.84
PRY2-PROPYL-ANILINEA1OWY0.78
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.72
PNZP-NITRO-BENZYLAMINEA,B2C700.72
SANSULFANILAMIDEA1AJ00.78
PBZP-AMINO BENZAMIDINEA,B2BDG0.72
PBZP-AMINO BENZAMIDINEA1RFN0.72
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.72
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.72
PBZP-AMINO BENZAMIDINEA1FIZ0.72
PBZP-AMINO BENZAMIDINEA1FIW0.72
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
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
3NT3-NITROTOLUENEA,B2BMR0.77
3NT3-NITROTOLUENEA,B2HMO0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
ANLANILINEA2OV40.93
ANLANILINEA1AEE0.93
ANLANILINEA1PPA0.93
ANLANILINEA1HJ90.93
5AN3,5-DIFLUOROANILINEA1LGX0.86
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.78
XYD2,5-DIMETHYLANILINEA1L4L0.78
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.74
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.75
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
1AN2-FLUOROANILINEA1LGW0.89
1MRN-METHYLANILINEX2OTZ0.78
TNL2,4,6-TRINITROTOLUENEA1GVR0.7
NINDINITROPHENYLENEA1RSM0.81
NINDINITROPHENYLENEA1GVY0.81
NINDINITROPHENYLENEA1GW10.81
URSN-PHENYLTHIOUREAA,B1BUG0.76
264(phenylamino)acetonitrileA2RBN0.74
PL01-phenylguanidineA2O8W0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.75
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.75
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.74
PHZ1-PHENYLHYDRAZINEA2E2T0.82
PHZ1-PHENYLHYDRAZINED,H2AGL0.82
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.79
ISOPARA-ISOPROPYLANILINEA1BMA0.76
ISOPARA-ISOPROPYLANILINEA,B1ELC0.76
ISOPARA-ISOPROPYLANILINEA,B1ELB0.76
ISOPARA-ISOPROPYLANILINEA,B1ELA0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
NYLN-ALLYL-ANILINEA1OVK0.77
NBZNITROBENZENEA,B2BMQ0.86
NBZNITROBENZENEA,B3BGU0.86
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.74
34A3,4-DIMETHYLANILINEA1L4K0.76
NBENITROSOBENZENEA1LH70.93
NBENITROSOBENZENEA2LH70.93
NBENITROSOBENZENEA2NSS0.93
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.9