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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02365164

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OXEORTHO-XYLENEA,B3E0X0.75
OXEORTHO-XYLENEA188L0.75
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.71
NPYNAPHTHALENEA,B1O7G0.74
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.78
FPRPROPYLBENZENEC1RHK0.75
BFLA,B1Q4G0.71
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.8
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.79
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.79
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.79
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.79
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
1QZV0.79
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.79
MBNTOLUENEA,B3D7O0.72
MBNTOLUENEA,B1R1X0.72
MBNTOLUENEA,B1JLX0.72
MBNTOLUENEA,B,C,D3D170.72
MBNTOLUENEA,B2VRL0.72
MBNTOLUENEA,I2Z3E0.72
MBNTOLUENEA,B1YZI0.72
MBNTOLUENEA,B2DN10.72
MBNTOLUENEA,B3EN10.72
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.7
PXYPARA-XYLENEA187L0.75
PXYPARA-XYLENEA225L0.75
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.74
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.74
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.81
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.71
DENINDENEA183L0.7
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
I4BISOBUTYLBENZENEA184L0.75
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.79
PYLPHENYLETHANEC1B070.75
PYLPHENYLETHANEA,B2VRM0.75
PYLPHENYLETHANEA1NHB0.75
MQ7MENAQUINONE-7C,H,L,M1PRC0.79
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.79
MQ7MENAQUINONE-7C,H,L,M5PRC0.79
MQ7MENAQUINONE-7C,H,L,M7PRC0.79
MQ7MENAQUINONE-7C,H,L,M2PRC0.79
MQ7MENAQUINONE-7C,H,L,M1R2C0.79
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.79
MQ7MENAQUINONE-7C,H,L,M3PRC0.79
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.79
MQ7MENAQUINONE-7C,H,L,M2JBL0.79
MQ7MENAQUINONE-7C,H,L,M6PRC0.79
AC01-PHENYLETHANONEA1ZK10.81
AC01-PHENYLETHANONEA1ZK40.81
AN3ANTHRACENEA,B2HMN0.73
AN3ANTHRACENEA,B2HMM0.73
N4BN-BUTYLBENZENEA186L0.75
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
PEYPHENANTHRENEA,B2HML0.73
PEYPHENANTHRENEA,B2HMK0.73
BZQDIPHENYLMETHANONEA,B1GT50.85
BZQDIPHENYLMETHANONEA,B1DZP0.85
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.71
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.74
MQ9MENAQUINONE-9C,H,L,M3D380.79
MQ9MENAQUINONE-9C,H,L,M1VRN0.79
MQ9MENAQUINONE-9C,H,L,M2I5N0.79
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.79
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.76
VK3MENADIONEA1TUV0.78
VK3MENADIONEA,B2QR20.78
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.72
3PL3-PHENYLPROPANALE1Y3G0.73
BDBA,B1KE30.79
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.85
MQ8MENAQUINONE 8C,H,L,M1EYS0.79
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.7
1LPTRANYLCYPROMINEA,B1OJB0.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73
ANQACENAPHTHENEQUINONEH,J1OAX0.74