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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02824187

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.71
OSPSULTHIAMEA2Q1Q0.78
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
1AN2-FLUOROANILINEA1LGW0.72
264(phenylamino)acetonitrileA2RBN0.8
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.78
URSN-PHENYLTHIOUREAA,B1BUG0.78
NIT4-NITROANILINEC,D1RMH0.71
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.71
NIT4-NITROANILINEB1VBS0.71
NIT4-NITROANILINEC1V9T0.71
NIT4-NITROANILINEC,D1VBT0.71
NIT4-NITROANILINEB1LOP0.71
NIT4-NITROANILINEC,D1ZKF0.71
NIT4-NITROANILINEB1PIP0.71
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.73
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.78
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.78
BSU1,3-DIPHENYLUREAA3E850.82
BSU1,3-DIPHENYLUREAA2ZJF0.82
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
NYLN-ALLYL-ANILINEA1OVK0.81
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.72
5AN3,5-DIFLUOROANILINEA1LGX0.7
ANLANILINEA2OV40.75
ANLANILINEA1AEE0.75
ANLANILINEA1PPA0.75
ANLANILINEA1HJ90.75
SANSULFANILAMIDEA1AJ00.74
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.73
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.73
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
PL01-phenylguanidineA2O8W0.76
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.71
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.7
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A,B2W980.71
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A,B2BXC0.71
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A2BXP0.71
P1Z4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-
3,5-DIONE
A2BXQ0.71
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.7
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.71
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.78
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.74
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.79
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.76
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
NBENITROSOBENZENEA1LH70.73
NBENITROSOBENZENEA2LH70.73
NBENITROSOBENZENEA2NSS0.73
1MRN-METHYLANILINEX2OTZ0.79
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.77
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.78
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.7