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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011571

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FLPFLURBIPROFENA,B,C,D3PGH0.7
FLPFLURBIPROFENA,B1CQE0.7
FLPFLURBIPROFENA,B1EQH0.7
FLPFLURBIPROFENA,B2AYL0.7
FLPFLURBIPROFENA1DVT0.7
FLPFLURBIPROFENA1R9O0.7
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.81
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.81
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.81
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.81
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
1QZV0.81
4FCA1YSG0.71
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.7
HBXbenzaldehydeA,B3GDN0.8
173BENZOYL-FORMIC ACIDA,B1SZE0.74
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.71
HY1PHENYLACETALDEHYDED,H2I0S0.78
HY1PHENYLACETALDEHYDEA,B1D6Y0.78
HY1PHENYLACETALDEHYDEA,B1D6Z0.78
HY1PHENYLACETALDEHYDED,H2OK40.78
HY1PHENYLACETALDEHYDEA,B1D6U0.78
VK3MENADIONEA1TUV0.81
VK3MENADIONEA,B2QR20.81
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.81
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.78
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.78
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.78
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.75
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.81
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.71
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.71
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.71
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.71
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.71
1LPTRANYLCYPROMINEA,B1OJB0.78
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.75
MQ7MENAQUINONE-7C,H,L,M1PRC0.79
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.79
MQ7MENAQUINONE-7C,H,L,M5PRC0.79
MQ7MENAQUINONE-7C,H,L,M7PRC0.79
MQ7MENAQUINONE-7C,H,L,M2PRC0.79
MQ7MENAQUINONE-7C,H,L,M1R2C0.79
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.79
MQ7MENAQUINONE-7C,H,L,M3PRC0.79
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.79
MQ7MENAQUINONE-7C,H,L,M2JBL0.79
MQ7MENAQUINONE-7C,H,L,M6PRC0.79
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.78
I4BISOBUTYLBENZENEA184L0.71
3PL3-PHENYLPROPANALE1Y3G0.77
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.71
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.81
MQ9MENAQUINONE-9C,H,L,M3D380.79
MQ9MENAQUINONE-9C,H,L,M1VRN0.79
MQ9MENAQUINONE-9C,H,L,M2I5N0.79
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.79
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.73
BZQDIPHENYLMETHANONEA,B1GT50.89
BZQDIPHENYLMETHANONEA,B1DZP0.89
ANQACENAPHTHENEQUINONEH,J1OAX0.75
MQ8MENAQUINONE 8C,H,L,M1EYS0.79
AC01-PHENYLETHANONEA1ZK10.9
AC01-PHENYLETHANONEA1ZK40.9
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.89
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.74