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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006022

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
URSN-PHENYLTHIOUREAA,B1BUG0.91
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.72
5AN3,5-DIFLUOROANILINEA1LGX0.74
1MRN-METHYLANILINEX2OTZ0.85
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.75
264(phenylamino)acetonitrileA2RBN0.82
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.8
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.71
NYLN-ALLYL-ANILINEA1OVK0.83
PL01-phenylguanidineA2O8W0.9
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.84
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.84
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.7
XYD2,5-DIMETHYLANILINEA1L4L0.7
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.75
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.75
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.78
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.78
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.78
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.78
BSU1,3-DIPHENYLUREAA3E850.94
BSU1,3-DIPHENYLUREAA2ZJF0.94
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.7
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.85
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.85
PHZ1-PHENYLHYDRAZINEA2E2T0.75
PHZ1-PHENYLHYDRAZINED,H2AGL0.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.76
PRY2-PROPYL-ANILINEA1OWY0.71
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.73
ANLANILINEA2OV40.79
ANLANILINEA1AEE0.79
ANLANILINEA1PPA0.79
ANLANILINEA1HJ90.79
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.79
SANSULFANILAMIDEA1AJ00.71
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.72
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.71
1AN2-FLUOROANILINEA1LGW0.76
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.73
NBENITROSOBENZENEA1LH70.73
NBENITROSOBENZENEA2LH70.73
NBENITROSOBENZENEA2NSS0.73
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.7
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.7
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.79
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.8
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.7
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.7
NIT4-NITROANILINEC,D1RMH0.73
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.73
NIT4-NITROANILINEB1VBS0.73
NIT4-NITROANILINEC1V9T0.73
NIT4-NITROANILINEC,D1VBT0.73
NIT4-NITROANILINEB1LOP0.73
NIT4-NITROANILINEC,D1ZKF0.73
NIT4-NITROANILINEB1PIP0.73
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.74
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.89