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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005745

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.74
NBENITROSOBENZENEA1LH70.81
NBENITROSOBENZENEA2LH70.81
NBENITROSOBENZENEA2NSS0.81
OSPSULTHIAMEA2Q1Q0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.71
5AN3,5-DIFLUOROANILINEA1LGX0.84
34A3,4-DIMETHYLANILINEA1L4K0.75
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.86
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.78
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.89
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
PRY2-PROPYL-ANILINEA1OWY0.77
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.7
1MRN-METHYLANILINEX2OTZ0.77
NYLN-ALLYL-ANILINEA1OVK0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
URSN-PHENYLTHIOUREAA,B1BUG0.75
NBZNITROBENZENEA,B2BMQ0.76
NBZNITROBENZENEA,B3BGU0.76
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.76
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.76
SANSULFANILAMIDEA1AJ00.88
NINDINITROPHENYLENEA1RSM0.71
NINDINITROPHENYLENEA1GVY0.71
NINDINITROPHENYLENEA1GW10.71
I7B4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDEA2POV0.71
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.76
264(phenylamino)acetonitrileA2RBN0.73
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.71
NIT4-NITROANILINEC,D1RMH0.77
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.77
NIT4-NITROANILINEB1VBS0.77
NIT4-NITROANILINEC1V9T0.77
NIT4-NITROANILINEC,D1VBT0.77
NIT4-NITROANILINEB1LOP0.77
NIT4-NITROANILINEC,D1ZKF0.77
NIT4-NITROANILINEB1PIP0.77
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.71
PBZP-AMINO BENZAMIDINEA1RFN0.71
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.71
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.71
PBZP-AMINO BENZAMIDINEA1FIZ0.71
PBZP-AMINO BENZAMIDINEA1FIW0.71
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.71
1AN2-FLUOROANILINEA1LGW0.87
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.76
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.74
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
PL01-phenylguanidineA2O8W0.72
SDA4-AMINO-3,5-DICHLOROBENZENESULFONAMIDEA1ZGE0.72
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.78
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.86
PHZ1-PHENYLHYDRAZINEA2E2T0.8
PHZ1-PHENYLHYDRAZINED,H2AGL0.8
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.71
ANLANILINEA2OV40.9
ANLANILINEA1AEE0.9
ANLANILINEA1PPA0.9
ANLANILINEA1HJ90.9