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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02380467

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
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.72
BFLA,B1Q4G0.71
ANQACENAPHTHENEQUINONEH,J1OAX0.87
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.78
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.73
VK3MENADIONEA1TUV0.81
VK3MENADIONEA,B2QR20.81
HY1PHENYLACETALDEHYDED,H2I0S0.7
HY1PHENYLACETALDEHYDEA,B1D6Y0.7
HY1PHENYLACETALDEHYDEA,B1D6Z0.7
HY1PHENYLACETALDEHYDED,H2OK40.7
HY1PHENYLACETALDEHYDEA,B1D6U0.7
TRZTRAZEOLIDEA1C120.8
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.74
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.86
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.7
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.81
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.75
MQ8MENAQUINONE 8C,H,L,M1EYS0.83
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.77
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.71
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.83
HBXbenzaldehydeA,B3GDN0.72
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
1LPTRANYLCYPROMINEA,B1OJB0.74
BZQDIPHENYLMETHANONEA,B1GT50.86
BZQDIPHENYLMETHANONEA,B1DZP0.86
AC01-PHENYLETHANONEA1ZK10.83
AC01-PHENYLETHANONEA1ZK40.83
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.85
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.85
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.85
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.85
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
1QZV0.85
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