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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02309628

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.71
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.84
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.77
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
34A3,4-DIMETHYLANILINEA1L4K0.74
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.76
URSN-PHENYLTHIOUREAA,B1BUG0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.7
PBZP-AMINO BENZAMIDINEA1RFN0.7
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.7
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.7
PBZP-AMINO BENZAMIDINEA1FIZ0.7
PBZP-AMINO BENZAMIDINEA1FIW0.7
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.72
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.78
PNZP-NITRO-BENZYLAMINEA,B2C700.78
NIT4-NITROANILINEC,D1RMH0.83
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.83
NIT4-NITROANILINEB1VBS0.83
NIT4-NITROANILINEC1V9T0.83
NIT4-NITROANILINEC,D1VBT0.83
NIT4-NITROANILINEB1LOP0.83
NIT4-NITROANILINEC,D1ZKF0.83
NIT4-NITROANILINEB1PIP0.83
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.7
ANLANILINEA2OV40.84
ANLANILINEA1AEE0.84
ANLANILINEA1PPA0.84
ANLANILINEA1HJ90.84
5AN3,5-DIFLUOROANILINEA1LGX0.78
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.84
SANSULFANILAMIDEA1AJ00.74
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.75
PL01-phenylguanidineA2O8W0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.72
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.72
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
1MRN-METHYLANILINEX2OTZ0.78
PHZ1-PHENYLHYDRAZINEA2E2T0.79
PHZ1-PHENYLHYDRAZINED,H2AGL0.79
PRY2-PROPYL-ANILINEA1OWY0.76
NBENITROSOBENZENEA1LH70.86
NBENITROSOBENZENEA2LH70.86
NBENITROSOBENZENEA2NSS0.86
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.84
NYLN-ALLYL-ANILINEA1OVK0.74
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.75
1AN2-FLUOROANILINEA1LGW0.81
264(phenylamino)acetonitrileA2RBN0.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.74
3NT3-NITROTOLUENEA,B2BMR0.79
3NT3-NITROTOLUENEA,B2HMO0.79
NBZNITROBENZENEA,B2BMQ0.86
NBZNITROBENZENEA,B3BGU0.86
NINDINITROPHENYLENEA1RSM0.83
NINDINITROPHENYLENEA1GVY0.83
NINDINITROPHENYLENEA1GW10.83
TNL2,4,6-TRINITROTOLUENEA1GVR0.74