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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02213625

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BSU1,3-DIPHENYLUREAA3E850.9
BSU1,3-DIPHENYLUREAA2ZJF0.9
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.74
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.75
PHZ1-PHENYLHYDRAZINEA2E2T0.72
PHZ1-PHENYLHYDRAZINED,H2AGL0.72
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.8
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.72
GNR2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-
2-YL)-N-HYDROXYACETAMIDE
A,B1S170.7
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.71
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.84
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.84
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.74
264(phenylamino)acetonitrileA2RBN0.79
NYLN-ALLYL-ANILINEA1OVK0.79
1AN2-FLUOROANILINEA1LGW0.73
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.76
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.82
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.82
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.82
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.82
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.7
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.76
URSN-PHENYLTHIOUREAA,B1BUG0.87
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.82
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.82
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.77
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.76
NBZNITROBENZENEA,B2BMQ0.72
NBZNITROBENZENEA,B3BGU0.72
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.81
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.7
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.73
5AN3,5-DIFLUOROANILINEA1LGX0.71
1MRN-METHYLANILINEX2OTZ0.81
PL01-phenylguanidineA2O8W0.86
NIT4-NITROANILINEC,D1RMH0.75
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.75
NIT4-NITROANILINEB1VBS0.75
NIT4-NITROANILINEC1V9T0.75
NIT4-NITROANILINEC,D1VBT0.75
NIT4-NITROANILINEB1LOP0.75
NIT4-NITROANILINEC,D1ZKF0.75
NIT4-NITROANILINEB1PIP0.75
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.8
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.89