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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02280316

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
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.77
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.81
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.74
FLPFLURBIPROFENA,B,C,D3PGH0.7
FLPFLURBIPROFENA,B1CQE0.7
FLPFLURBIPROFENA,B1EQH0.7
FLPFLURBIPROFENA,B2AYL0.7
FLPFLURBIPROFENA1DVT0.7
FLPFLURBIPROFENA1R9O0.7
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.81
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.81
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.81
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.81
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
1QZV0.81
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.7
AN3ANTHRACENEA,B2HMN0.71
AN3ANTHRACENEA,B2HMM0.71
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
IBPIBUPROFENA3FKX0.7
IBPIBUPROFENA,B2BXG0.7
IBPIBUPROFENA,B1EQG0.7
IBPIBUPROFENA,B,C2WD90.7
IBPIBUPROFENA2PWS0.7
AC01-PHENYLETHANONEA1ZK10.85
AC01-PHENYLETHANONEA1ZK40.85
BDBA,B1KE30.72
HY1PHENYLACETALDEHYDED,H2I0S0.78
HY1PHENYLACETALDEHYDEA,B1D6Y0.78
HY1PHENYLACETALDEHYDEA,B1D6Z0.78
HY1PHENYLACETALDEHYDED,H2OK40.78
HY1PHENYLACETALDEHYDEA,B1D6U0.78
FPRPROPYLBENZENEC1RHK0.7
VK3MENADIONEA1TUV0.79
VK3MENADIONEA,B2QR20.79
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.85
PEYPHENANTHRENEA,B2HML0.71
PEYPHENANTHRENEA,B2HMK0.71
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.86
MQ9MENAQUINONE-9C,H,L,M3D380.81
MQ9MENAQUINONE-9C,H,L,M1VRN0.81
MQ9MENAQUINONE-9C,H,L,M2I5N0.81
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.81
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.75
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.73
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
HBXbenzaldehydeA,B3GDN0.74
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.71
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
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.71
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.71
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.71
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.71
1LPTRANYLCYPROMINEA,B1OJB0.78
5PV5-PHENYLVALERIC ACIDA,B2AY90.71
MQ7MENAQUINONE-7C,H,L,M1PRC0.81
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.81
MQ7MENAQUINONE-7C,H,L,M5PRC0.81
MQ7MENAQUINONE-7C,H,L,M7PRC0.81
MQ7MENAQUINONE-7C,H,L,M2PRC0.81
MQ7MENAQUINONE-7C,H,L,M1R2C0.81
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.81
MQ7MENAQUINONE-7C,H,L,M3PRC0.81
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.81
MQ7MENAQUINONE-7C,H,L,M2JBL0.81
MQ7MENAQUINONE-7C,H,L,M6PRC0.81
I4BISOBUTYLBENZENEA184L0.71
3PL3-PHENYLPROPANALE1Y3G0.77
BFLA,B1Q4G0.72
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.75
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.79
ANQACENAPHTHENEQUINONEH,J1OAX0.77
BZQDIPHENYLMETHANONEA,B1GT50.89
BZQDIPHENYLMETHANONEA,B1DZP0.89
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.78
825[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acidA3CWE0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE
A,B,C1H350.71
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.73
PYLPHENYLETHANEC1B070.7
PYLPHENYLETHANEA,B2VRM0.7
PYLPHENYLETHANEA1NHB0.7
N4BN-BUTYLBENZENEA186L0.7
MQ8MENAQUINONE 8C,H,L,M1EYS0.81
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71