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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02360775

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.93
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.83
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
PL01-phenylguanidineA2O8W0.82
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
1AN2-FLUOROANILINEA1LGW0.77
5AN3,5-DIFLUOROANILINEA1LGX0.75
A8BA1ODC0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.75
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.75
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.75
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.75
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.73
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.81
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.7
IDMINDOLINEA,B3CEP0.82
IDMINDOLINEA1AEK0.82
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.84
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.73
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.79
BSU1,3-DIPHENYLUREAA3E850.81
BSU1,3-DIPHENYLUREAA2ZJF0.81
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.76
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.7
ONPO-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Y0.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
OSPSULTHIAMEA2Q1Q0.74
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.78
PRY2-PROPYL-ANILINEA1OWY0.74
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.79
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.79
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
NIT4-NITROANILINEC,D1RMH0.72
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.72
NIT4-NITROANILINEB1VBS0.72
NIT4-NITROANILINEC1V9T0.72
NIT4-NITROANILINEC,D1VBT0.72
NIT4-NITROANILINEB1LOP0.72
NIT4-NITROANILINEC,D1ZKF0.72
NIT4-NITROANILINEB1PIP0.72
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.75
PHZ1-PHENYLHYDRAZINEA2E2T0.76
PHZ1-PHENYLHYDRAZINED,H2AGL0.76
264(phenylamino)acetonitrileA2RBN0.96
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.75
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.81
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.81
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.81
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.81
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.75
NYLN-ALLYL-ANILINEA1OVK0.98
URSN-PHENYLTHIOUREAA,B1BUG0.83
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.8
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.71
A51(3E)-3-[(phenylamino)methylidene]dihydrofuran-
2(3H)-one
A2QFO0.71
271N-methyl-1-phenylmethanamineX2RBT0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.79
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.79
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.7
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.76
34A3,4-DIMETHYLANILINEA1L4K0.71
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.72
ANLANILINEA2OV40.8
ANLANILINEA1AEE0.8
ANLANILINEA1PPA0.8
ANLANILINEA1HJ90.8