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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008283

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.77
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.77
5AN3,5-DIFLUOROANILINEA1LGX0.75
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
1AN2-FLUOROANILINEA1LGW0.78
OSPSULTHIAMEA2Q1Q0.72
CVICRYSTAL VIOLETA,B,D,E1JTX0.76
34A3,4-DIMETHYLANILINEA1L4K0.73
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.79
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.76
PHZ1-PHENYLHYDRAZINEA2E2T0.74
PHZ1-PHENYLHYDRAZINED,H2AGL0.74
1MRN-METHYLANILINEX2OTZ0.91
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.73
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.73
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
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.74
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.74
MGRMALACHITE GREENA,B3BQZ0.76
MGRMALACHITE GREENA1Q8N0.76
MGRMALACHITE GREENA,B3BR00.76
MGRMALACHITE GREENA,D,E3BTL0.76
MGRMALACHITE GREENA,B,D,E3BTC0.76
MGRMALACHITE GREENA,B,D,E1JUP0.76
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.78
URSN-PHENYLTHIOUREAA,B1BUG0.79
PRY2-PROPYL-ANILINEA1OWY0.76
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.79
NYLN-ALLYL-ANILINEA1OVK0.89
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
NBZNITROBENZENEA,B2BMQ0.74
NBZNITROBENZENEA,B3BGU0.74
NBENITROSOBENZENEA1LH70.78
NBENITROSOBENZENEA2LH70.78
NBENITROSOBENZENEA2NSS0.78
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.73
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.73
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.78
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.74
ANLANILINEA2OV40.81
ANLANILINEA1AEE0.81
ANLANILINEA1PPA0.81
ANLANILINEA1HJ90.81
264(phenylamino)acetonitrileA2RBN0.86
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.71
PL01-phenylguanidineA2O8W0.78
BSU1,3-DIPHENYLUREAA3E850.77
BSU1,3-DIPHENYLUREAA2ZJF0.77