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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020512

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
34A3,4-DIMETHYLANILINEA1L4K0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.73
1MRN-METHYLANILINEX2OTZ0.73
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.74
264(phenylamino)acetonitrileA2RBN0.71
NYLN-ALLYL-ANILINEA1OVK0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.7
PRY2-PROPYL-ANILINEA1OWY0.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.71
PBZP-AMINO BENZAMIDINEA1RFN0.71
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.71
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.71
PBZP-AMINO BENZAMIDINEA1FIZ0.71
PBZP-AMINO BENZAMIDINEA1FIW0.71
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.71
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
PL01-phenylguanidineA2O8W0.75
BSU1,3-DIPHENYLUREAA3E850.74
BSU1,3-DIPHENYLUREAA2ZJF0.74
BRNBERENILA,B268D0.7
BRNBERENILA,B1D630.7
BRNBERENILA,D,E2GBY0.7
BRNBERENILA2DBE0.7
BRNBERENILA2GVR0.7
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
MPX4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDEA1ZH90.71
URSN-PHENYLTHIOUREAA,B1BUG0.83
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.76
IDMINDOLINEA,B3CEP0.72
IDMINDOLINEA1AEK0.72