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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008687

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.85
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.85
ANQACENAPHTHENEQUINONEH,J1OAX0.81
BZQDIPHENYLMETHANONEA,B1GT50.8
BZQDIPHENYLMETHANONEA,B1DZP0.8
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.8
PEYPHENANTHRENEA,B2HML0.79
PEYPHENANTHRENEA,B2HMK0.79
AN3ANTHRACENEA,B2HMN0.79
AN3ANTHRACENEA,B2HMM0.79
HY1PHENYLACETALDEHYDED,H2I0S0.78
HY1PHENYLACETALDEHYDEA,B1D6Y0.78
HY1PHENYLACETALDEHYDEA,B1D6Z0.78
HY1PHENYLACETALDEHYDED,H2OK40.78
HY1PHENYLACETALDEHYDEA,B1D6U0.78
1LPTRANYLCYPROMINEA,B1OJB0.78
HBXbenzaldehydeA,B3GDN0.78
3PL3-PHENYLPROPANALE1Y3G0.77
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.76
VK3MENADIONEA1TUV0.76
VK3MENADIONEA,B2QR20.76
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.76
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.75
AC01-PHENYLETHANONEA1ZK10.74
AC01-PHENYLETHANONEA1ZK40.74
MQ8MENAQUINONE 8C,H,L,M1EYS0.73
MQ9MENAQUINONE-9C,H,L,M3D380.73
MQ9MENAQUINONE-9C,H,L,M1VRN0.73
MQ9MENAQUINONE-9C,H,L,M2I5N0.73
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.73
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.73
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.73
MQ7MENAQUINONE-7C,H,L,M1PRC0.73
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.73
MQ7MENAQUINONE-7C,H,L,M5PRC0.73
MQ7MENAQUINONE-7C,H,L,M7PRC0.73
MQ7MENAQUINONE-7C,H,L,M2PRC0.73
MQ7MENAQUINONE-7C,H,L,M1R2C0.73
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.73
MQ7MENAQUINONE-7C,H,L,M3PRC0.73
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.73
MQ7MENAQUINONE-7C,H,L,M2JBL0.73
MQ7MENAQUINONE-7C,H,L,M6PRC0.73
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.73
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.73
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.73
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.73
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.73
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.73
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.73
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.73
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
1QZV0.73
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.72
NPYNAPHTHALENEA,B1O7G0.72
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.71
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.71