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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03212699

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.72
BSU1,3-DIPHENYLUREAA3E850.82
BSU1,3-DIPHENYLUREAA2ZJF0.82
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.78
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.78
PRY2-PROPYL-ANILINEA1OWY0.72
NYLN-ALLYL-ANILINEA1OVK0.88
264(phenylamino)acetonitrileA2RBN0.87
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.75
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.75
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
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.77
1AN2-FLUOROANILINEA1LGW0.73
URSN-PHENYLTHIOUREAA,B1BUG0.79
CVICRYSTAL VIOLETA,B,D,E1JTX0.72
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.74
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.77
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.75
1MRN-METHYLANILINEX2OTZ0.9
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.74
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
MGRMALACHITE GREENA,B3BQZ0.72
MGRMALACHITE GREENA1Q8N0.72
MGRMALACHITE GREENA,B3BR00.72
MGRMALACHITE GREENA,D,E3BTL0.72
MGRMALACHITE GREENA,B,D,E3BTC0.72
MGRMALACHITE GREENA,B,D,E1JUP0.72
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
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.79
5AN3,5-DIFLUOROANILINEA1LGX0.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.7
PL01-phenylguanidineA2O8W0.78
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.72