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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02880101

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
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.78
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
1MRN-METHYLANILINEX2OTZ0.75
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.73
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.7
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.72
PRY2-PROPYL-ANILINEA1OWY0.73
34A3,4-DIMETHYLANILINEA1L4K0.72
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.74
URSN-PHENYLTHIOUREAA,B1BUG0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.72
ISOPARA-ISOPROPYLANILINEA,B1ELC0.72
ISOPARA-ISOPROPYLANILINEA,B1ELB0.72
ISOPARA-ISOPROPYLANILINEA,B1ELA0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
BSU1,3-DIPHENYLUREAA3E850.79
BSU1,3-DIPHENYLUREAA2ZJF0.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.7
NYLN-ALLYL-ANILINEA1OVK0.73
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.73
PL01-phenylguanidineA2O8W0.74
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.74
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.79
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.71
264(phenylamino)acetonitrileA2RBN0.73
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.73
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.71
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.72
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.8
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.76
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.76
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
CVICRYSTAL VIOLETA,B,D,E1JTX0.7
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.75
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.7
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.71
MGRMALACHITE GREENA,B3BQZ0.7
MGRMALACHITE GREENA1Q8N0.7
MGRMALACHITE GREENA,B3BR00.7
MGRMALACHITE GREENA,D,E3BTL0.7
MGRMALACHITE GREENA,B,D,E3BTC0.7
MGRMALACHITE GREENA,B,D,E1JUP0.7
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.72
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.73