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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03420129

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BSU1,3-DIPHENYLUREAA3E850.8
BSU1,3-DIPHENYLUREAA2ZJF0.8
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.77
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.72
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.77
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.78
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.78
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.81
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.76
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.7
NYLN-ALLYL-ANILINEA1OVK0.81
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.79
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
URSN-PHENYLTHIOUREAA,B1BUG0.75
264(phenylamino)acetonitrileA2RBN0.79
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.74
1AN2-FLUOROANILINEA1LGW0.73
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.79
NBENITROSOBENZENEA1LH70.7
NBENITROSOBENZENEA2LH70.7
NBENITROSOBENZENEA2NSS0.7
PL01-phenylguanidineA2O8W0.74
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.94
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.94
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.8
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.8
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.8
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.8
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.73
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.77
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.73
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.72
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.72
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.79
5AN3,5-DIFLUOROANILINEA1LGX0.71
1MRN-METHYLANILINEX2OTZ0.81
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.72
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.72