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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01763167

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AQSN,N-BIS(3-AMINOPROPYL)-2-ANTHRAQUINONESULFONAMIDEA386D0.7
HY1PHENYLACETALDEHYDED,H2I0S0.73
HY1PHENYLACETALDEHYDEA,B1D6Y0.73
HY1PHENYLACETALDEHYDEA,B1D6Z0.73
HY1PHENYLACETALDEHYDED,H2OK40.73
HY1PHENYLACETALDEHYDEA,B1D6U0.73
MQ8MENAQUINONE 8C,H,L,M1EYS0.84
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.81
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.71
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.71
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.73
1LPTRANYLCYPROMINEA,B1OJB0.76
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.74
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.72
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.87
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.87
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.87
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.87
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
1QZV0.87
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.7
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.95
BZQDIPHENYLMETHANONEA,B1GT50.9
BZQDIPHENYLMETHANONEA,B1DZP0.9
MQ7MENAQUINONE-7C,H,L,M1PRC0.84
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.84
MQ7MENAQUINONE-7C,H,L,M5PRC0.84
MQ7MENAQUINONE-7C,H,L,M7PRC0.84
MQ7MENAQUINONE-7C,H,L,M2PRC0.84
MQ7MENAQUINONE-7C,H,L,M1R2C0.84
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.84
MQ7MENAQUINONE-7C,H,L,M3PRC0.84
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.84
MQ7MENAQUINONE-7C,H,L,M2JBL0.84
MQ7MENAQUINONE-7C,H,L,M6PRC0.84
173BENZOYL-FORMIC ACIDA,B1SZE0.7
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.71
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.85
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.73
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.73
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.76
MQ9MENAQUINONE-9C,H,L,M3D380.84
MQ9MENAQUINONE-9C,H,L,M1VRN0.84
MQ9MENAQUINONE-9C,H,L,M2I5N0.84
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.84
HBXbenzaldehydeA,B3GDN0.76
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.75
825[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acidA3CWE0.72
AC01-PHENYLETHANONEA1ZK10.84
AC01-PHENYLETHANONEA1ZK40.84
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.78
BFLA,B1Q4G0.7
VK3MENADIONEA1TUV0.85
VK3MENADIONEA,B2QR20.85
3PL3-PHENYLPROPANALE1Y3G0.72
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.72
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.77
PEYPHENANTHRENEA,B2HML0.72
PEYPHENANTHRENEA,B2HMK0.72
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
ANQACENAPHTHENEQUINONEH,J1OAX0.85
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.8
AN3ANTHRACENEA,B2HMN0.72
AN3ANTHRACENEA,B2HMM0.72
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.84
NPYNAPHTHALENEA,B1O7G0.71