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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00046454

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.84
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.84
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.84
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.79
MQ8MENAQUINONE 8C,H,L,M1EYS0.75
173BENZOYL-FORMIC ACIDA,B1SZE0.7
BZQDIPHENYLMETHANONEA,B1GT50.79
BZQDIPHENYLMETHANONEA,B1DZP0.79
MQ9MENAQUINONE-9C,H,L,M3D380.75
MQ9MENAQUINONE-9C,H,L,M1VRN0.75
MQ9MENAQUINONE-9C,H,L,M2I5N0.75
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.75
VK3MENADIONEA1TUV0.79
VK3MENADIONEA,B2QR20.79
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.71
HBXbenzaldehydeA,B3GDN0.76
MQ7MENAQUINONE-7C,H,L,M1PRC0.75
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.75
MQ7MENAQUINONE-7C,H,L,M5PRC0.75
MQ7MENAQUINONE-7C,H,L,M7PRC0.75
MQ7MENAQUINONE-7C,H,L,M2PRC0.75
MQ7MENAQUINONE-7C,H,L,M1R2C0.75
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.75
MQ7MENAQUINONE-7C,H,L,M3PRC0.75
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.75
MQ7MENAQUINONE-7C,H,L,M2JBL0.75
MQ7MENAQUINONE-7C,H,L,M6PRC0.75
825[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acidA3CWE0.72
3PL3-PHENYLPROPANALE1Y3G0.7
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.72
1LPTRANYLCYPROMINEA,B1OJB0.7
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.76
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.75
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.79
ANQACENAPHTHENEQUINONEH,J1OAX0.73
HY1PHENYLACETALDEHYDED,H2I0S0.71
HY1PHENYLACETALDEHYDEA,B1D6Y0.71
HY1PHENYLACETALDEHYDEA,B1D6Z0.71
HY1PHENYLACETALDEHYDED,H2OK40.71
HY1PHENYLACETALDEHYDEA,B1D6U0.71
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.75
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.75
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.75
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.75
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z
1QZV0.75
AC01-PHENYLETHANONEA1ZK10.82
AC01-PHENYLETHANONEA1ZK40.82