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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02319722

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
34A3,4-DIMETHYLANILINEA1L4K0.74
PHZ1-PHENYLHYDRAZINEA2E2T0.77
PHZ1-PHENYLHYDRAZINED,H2AGL0.77
CLU2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINEA,B,D,E2PNC0.7
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.73
1MRN-METHYLANILINEX2OTZ0.85
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.7
PNZP-NITRO-BENZYLAMINEA,B2C700.7
1AN2-FLUOROANILINEA1LGW0.78
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.8
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.74
NYLN-ALLYL-ANILINEA1OVK0.87
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.71
URSN-PHENYLTHIOUREAA,B1BUG0.74
271N-methyl-1-phenylmethanamineX2RBT0.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
PRY2-PROPYL-ANILINEA1OWY0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
SANSULFANILAMIDEA1AJ00.71
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.71
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
PL01-phenylguanidineA2O8W0.75
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.75
ANLANILINEA2OV40.81
ANLANILINEA1AEE0.81
ANLANILINEA1PPA0.81
ANLANILINEA1HJ90.81
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.76
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.76
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
264(phenylamino)acetonitrileA2RBN0.86
NBENITROSOBENZENEA1LH70.73
NBENITROSOBENZENEA2LH70.73
NBENITROSOBENZENEA2NSS0.73
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.76
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.77
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
5AN3,5-DIFLUOROANILINEA1LGX0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.8
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
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.73