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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01299973

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
PBZP-AMINO BENZAMIDINEA,B2BDG0.7
PBZP-AMINO BENZAMIDINEA1RFN0.7
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.7
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.7
PBZP-AMINO BENZAMIDINEA1FIZ0.7
PBZP-AMINO BENZAMIDINEA1FIW0.7
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.7
34A3,4-DIMETHYLANILINEA1L4K0.75
1MRN-METHYLANILINEX2OTZ0.73
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.72
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.7
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.7
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
264(phenylamino)acetonitrileA2RBN0.71
PRY2-PROPYL-ANILINEA1OWY0.75
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
BSU1,3-DIPHENYLUREAA3E850.76
BSU1,3-DIPHENYLUREAA2ZJF0.76
URSN-PHENYLTHIOUREAA,B1BUG0.84
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.76
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.7
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.7
PL01-phenylguanidineA2O8W0.76
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.7
RJ1N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamideA,B,C,D3DGA0.79
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.71
IET1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-
PHENYL)-1-IMINO-ETHYL]-THIOUREA
A1S6P0.7
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.76
XYD2,5-DIMETHYLANILINEA1L4L0.76
NYLN-ALLYL-ANILINEA1OVK0.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.71