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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03171366

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.76
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.71
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.71
ANQACENAPHTHENEQUINONEH,J1OAX0.79
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.7
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.7
3PL3-PHENYLPROPANALE1Y3G0.8
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
1LPTRANYLCYPROMINEA,B1OJB0.82
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.73
VK3MENADIONEA1TUV0.79
VK3MENADIONEA,B2QR20.79
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.74
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.8
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.8
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.8
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.8
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
1QZV0.8
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.72
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.73
BFLA,B1Q4G0.7
HBXbenzaldehydeA,B3GDN0.84
MQ8MENAQUINONE 8C,H,L,M1EYS0.8
HY1PHENYLACETALDEHYDED,H2I0S0.82
HY1PHENYLACETALDEHYDEA,B1D6Y0.82
HY1PHENYLACETALDEHYDEA,B1D6Z0.82
HY1PHENYLACETALDEHYDED,H2OK40.82
HY1PHENYLACETALDEHYDEA,B1D6U0.82
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.73
4FCA1YSG0.7
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.79
MQ9MENAQUINONE-9C,H,L,M3D380.8
MQ9MENAQUINONE-9C,H,L,M1VRN0.8
MQ9MENAQUINONE-9C,H,L,M2I5N0.8
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.8
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.82
AC01-PHENYLETHANONEA1ZK10.8
AC01-PHENYLETHANONEA1ZK40.8
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.89
BZQDIPHENYLMETHANONEA,B1GT50.86
BZQDIPHENYLMETHANONEA,B1DZP0.86
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.71
MQ7MENAQUINONE-7C,H,L,M1PRC0.8
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.8
MQ7MENAQUINONE-7C,H,L,M5PRC0.8
MQ7MENAQUINONE-7C,H,L,M7PRC0.8
MQ7MENAQUINONE-7C,H,L,M2PRC0.8
MQ7MENAQUINONE-7C,H,L,M1R2C0.8
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.8
MQ7MENAQUINONE-7C,H,L,M3PRC0.8
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.8
MQ7MENAQUINONE-7C,H,L,M2JBL0.8
MQ7MENAQUINONE-7C,H,L,M6PRC0.8
DFADIPHENYLACETIC ACIDA,B,C1GMY0.7
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.84
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71