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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052003

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBENITROSOBENZENEA1LH70.76
NBENITROSOBENZENEA2LH70.76
NBENITROSOBENZENEA2NSS0.76
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.7
URSN-PHENYLTHIOUREAA,B1BUG0.77
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.72
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.72
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
264(phenylamino)acetonitrileA2RBN0.83
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
PRY2-PROPYL-ANILINEA1OWY0.73
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
PL01-phenylguanidineA2O8W0.76
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.7
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.71
MGRMALACHITE GREENA,B3BQZ0.73
MGRMALACHITE GREENA1Q8N0.73
MGRMALACHITE GREENA,B3BR00.73
MGRMALACHITE GREENA,D,E3BTL0.73
MGRMALACHITE GREENA,B,D,E3BTC0.73
MGRMALACHITE GREENA,B,D,E1JUP0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
BSU1,3-DIPHENYLUREAA3E850.74
BSU1,3-DIPHENYLUREAA2ZJF0.74
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.74
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.73
1AN2-FLUOROANILINEA1LGW0.81
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
NYLN-ALLYL-ANILINEA1OVK0.86
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.75
CVICRYSTAL VIOLETA,B,D,E1JTX0.73
1MRN-METHYLANILINEX2OTZ0.88
34A3,4-DIMETHYLANILINEA1L4K0.71
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.7
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.72
5AN3,5-DIFLUOROANILINEA1LGX0.79
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76