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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00528435

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3PL3-PHENYLPROPANALE1Y3G0.81
173BENZOYL-FORMIC ACIDA,B1SZE0.73
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.7
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.7
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.7
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.7
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.86
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid		A2RHW0.71
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.8
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
ANQACENAPHTHENEQUINONEH,J1OAX0.8
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.83
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.83
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.83
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.83
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		1QZV0.83
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.77
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.77
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.77
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.83
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.7
AC01-PHENYLETHANONEA1ZK10.88
AC01-PHENYLETHANONEA1ZK40.88
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.75
MQ8MENAQUINONE 8C,H,L,M1EYS0.83
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.74
BZQDIPHENYLMETHANONEA,B1GT50.85
BZQDIPHENYLMETHANONEA,B1DZP0.85
HBXbenzaldehydeA,B3GDN0.85
HY1PHENYLACETALDEHYDED,H2I0S0.83
HY1PHENYLACETALDEHYDEA,B1D6Y0.83
HY1PHENYLACETALDEHYDEA,B1D6Z0.83
HY1PHENYLACETALDEHYDED,H2OK40.83
HY1PHENYLACETALDEHYDEA,B1D6U0.83
OSB2-SUCCINYLBENZOATEA1FHV0.72
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.72
OSB2-SUCCINYLBENZOATEA,B2QVH0.72
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.74
1LPTRANYLCYPROMINEA,B1OJB0.85
VK3MENADIONEA1TUV0.86
VK3MENADIONEA,B2QR20.86
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.83
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid		A2RHT0.72
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.7
MQ7MENAQUINONE-7C,H,L,M1PRC0.83
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.83
MQ7MENAQUINONE-7C,H,L,M5PRC0.83
MQ7MENAQUINONE-7C,H,L,M7PRC0.83
MQ7MENAQUINONE-7C,H,L,M2PRC0.83
MQ7MENAQUINONE-7C,H,L,M1R2C0.83
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.83
MQ7MENAQUINONE-7C,H,L,M3PRC0.83
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.83
MQ7MENAQUINONE-7C,H,L,M2JBL0.83
MQ7MENAQUINONE-7C,H,L,M6PRC0.83
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.89
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID		A,B1KYN0.73
TRZTRAZEOLIDEA1C120.73
MQ9MENAQUINONE-9C,H,L,M3D380.83
MQ9MENAQUINONE-9C,H,L,M1VRN0.83
MQ9MENAQUINONE-9C,H,L,M2I5N0.83
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.83