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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02824569

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OSB2-SUCCINYLBENZOATEA1FHV0.71
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.71
OSB2-SUCCINYLBENZOATEA,B2QVH0.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.76
HBXbenzaldehydeA,B3GDN0.82
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.83
VK3MENADIONEA1TUV0.83
VK3MENADIONEA,B2QR20.83
I4BISOBUTYLBENZENEA184L0.7
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one		A,B3DEA0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.73
MQ8MENAQUINONE 8C,H,L,M1EYS0.85
TRZTRAZEOLIDEA1C120.71
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.94
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.73
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.73
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.73
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.73
MQ9MENAQUINONE-9C,H,L,M3D380.85
MQ9MENAQUINONE-9C,H,L,M1VRN0.85
MQ9MENAQUINONE-9C,H,L,M2I5N0.85
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.85
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.74
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.76
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.72
AC01-PHENYLETHANONEA1ZK10.92
AC01-PHENYLETHANONEA1ZK40.92
MQ7MENAQUINONE-7C,H,L,M1PRC0.85
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.85
MQ7MENAQUINONE-7C,H,L,M5PRC0.85
MQ7MENAQUINONE-7C,H,L,M7PRC0.85
MQ7MENAQUINONE-7C,H,L,M2PRC0.85
MQ7MENAQUINONE-7C,H,L,M1R2C0.85
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.85
MQ7MENAQUINONE-7C,H,L,M3PRC0.85
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.85
MQ7MENAQUINONE-7C,H,L,M2JBL0.85
MQ7MENAQUINONE-7C,H,L,M6PRC0.85
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
HY1PHENYLACETALDEHYDED,H2I0S0.8
HY1PHENYLACETALDEHYDEA,B1D6Y0.8
HY1PHENYLACETALDEHYDEA,B1D6Z0.8
HY1PHENYLACETALDEHYDED,H2OK40.8
HY1PHENYLACETALDEHYDEA,B1D6U0.8
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
3PL3-PHENYLPROPANALE1Y3G0.78
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid		A2RHT0.74
1LPTRANYLCYPROMINEA,B1OJB0.78
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid		A2RHW0.77
4FCA1YSG0.7
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.8
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.8
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.8
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID		A,B1KYN0.72
ANQACENAPHTHENEQUINONEH,J1OAX0.77
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.7
173BENZOYL-FORMIC ACIDA,B1SZE0.76
825[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acidA3CWE0.71
BZQDIPHENYLMETHANONEA,B1GT50.91
BZQDIPHENYLMETHANONEA,B1DZP0.91
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.83
HCIHYDROCINNAMIC ACIDA,B1BXG0.71
HCIHYDROCINNAMIC ACIDA,B1TOG0.71
HCIHYDROCINNAMIC ACIDA,B1V2F0.71
HCIHYDROCINNAMIC ACIDA,B1AHX0.71
HCIHYDROCINNAMIC ACIDA1TOI0.71
HCIHYDROCINNAMIC ACIDA,B1AY80.71
HCIHYDROCINNAMIC ACIDA1TOJ0.71
PHMPHENYLALANYLMETHANEA,I1PJP0.7
PHMPHENYLALANYLMETHANEA,B,C2J9J0.7
PHMPHENYLALANYLMETHANEA,B,C2JE40.7
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
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.77
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.83
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.77