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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049523

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.84
PRY2-PROPYL-ANILINEA1OWY0.7
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.77
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.77
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.77
NYLN-ALLYL-ANILINEA1OVK0.82
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.72
5AN3,5-DIFLUOROANILINEA1LGX0.74
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.73
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.7
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.86
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.72
264(phenylamino)acetonitrileA2RBN0.81
PBZP-AMINO BENZAMIDINEA,B2BDG0.74
PBZP-AMINO BENZAMIDINEA1RFN0.74
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.74
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.74
PBZP-AMINO BENZAMIDINEA1FIZ0.74
PBZP-AMINO BENZAMIDINEA1FIW0.74
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.74
PHZ1-PHENYLHYDRAZINEA2E2T0.74
PHZ1-PHENYLHYDRAZINED,H2AGL0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.75
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.75
RJ1N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamideA,B,C,D3DGA0.75
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.7
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.72
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.8
BSU1,3-DIPHENYLUREAA3E850.85
BSU1,3-DIPHENYLUREAA2ZJF0.85
NBENITROSOBENZENEA1LH70.7
NBENITROSOBENZENEA2LH70.7
NBENITROSOBENZENEA2NSS0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.73
NIT4-NITROANILINEC,D1RMH0.7
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.7
NIT4-NITROANILINEB1VBS0.7
NIT4-NITROANILINEC1V9T0.7
NIT4-NITROANILINEC,D1VBT0.7
NIT4-NITROANILINEB1LOP0.7
NIT4-NITROANILINEC,D1ZKF0.7
NIT4-NITROANILINEB1PIP0.7
1AN2-FLUOROANILINEA1LGW0.76
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.82
C1M1-(4-CHLOROPHENYL)-2,3-DIHYDRO-
1H-TETRAZOLE
B,I2C900.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
PL01-phenylguanidineA2O8W1
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.77
URSN-PHENYLTHIOUREAA,B1BUG0.9