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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008273

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.71
BSU1,3-DIPHENYLUREAA3E850.8
BSU1,3-DIPHENYLUREAA2ZJF0.8
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.83
34A3,4-DIMETHYLANILINEA1L4K0.74
NBENITROSOBENZENEA1LH70.76
NBENITROSOBENZENEA2LH70.76
NBENITROSOBENZENEA2NSS0.76
IDMINDOLINEA,B3CEP0.8
IDMINDOLINEA1AEK0.8
PHZ1-PHENYLHYDRAZINEA2E2T0.78
PHZ1-PHENYLHYDRAZINED,H2AGL0.78
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.73
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.78
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
PRY2-PROPYL-ANILINEA1OWY0.77
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.75
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.77
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.78
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.7
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.83
A51(3E)-3-[(phenylamino)methylidene]dihydrofuran-
2(3H)-one
A2QFO0.7
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.71
ANLANILINEA2OV40.84
ANLANILINEA1AEE0.84
ANLANILINEA1PPA0.84
ANLANILINEA1HJ90.84
1MRN-METHYLANILINEX2OTZ1
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.74
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.72
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.81
URSN-PHENYLTHIOUREAA,B1BUG0.85
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.76
PL01-phenylguanidineA2O8W0.84
SANSULFANILAMIDEA1AJ00.71
264(phenylamino)acetonitrileA2RBN0.92
1AN2-FLUOROANILINEA1LGW0.81
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.74
271N-methyl-1-phenylmethanamineX2RBT0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.83
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.72
NYLN-ALLYL-ANILINEA1OVK0.95
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
NIT4-NITROANILINEC,D1RMH0.73
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.73
NIT4-NITROANILINEB1VBS0.73
NIT4-NITROANILINEC1V9T0.73
NIT4-NITROANILINEC,D1VBT0.73
NIT4-NITROANILINEB1LOP0.73
NIT4-NITROANILINEC,D1ZKF0.73
NIT4-NITROANILINEB1PIP0.73
5AN3,5-DIFLUOROANILINEA1LGX0.79
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.8
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.8