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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02852122

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
VK3MENADIONEA1TUV0.8
VK3MENADIONEA,B2QR20.8
CLT4-PHENYL-BUTANOIC ACIDA1THL0.75
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.75
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.75
3PL3-PHENYLPROPANALE1Y3G0.94
7912-PHENYLMALONIC ACIDA1O4P0.7
DENINDENEA183L0.74
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.72
IBPIBUPROFENA3FKX0.74
IBPIBUPROFENA,B2BXG0.74
IBPIBUPROFENA,B1EQG0.74
IBPIBUPROFENA,B,C2WD90.74
IBPIBUPROFENA2PWS0.74
MQ8MENAQUINONE 8C,H,L,M1EYS0.75
HY1PHENYLACETALDEHYDED,H2I0S0.96
HY1PHENYLACETALDEHYDEA,B1D6Y0.96
HY1PHENYLACETALDEHYDEA,B1D6Z0.96
HY1PHENYLACETALDEHYDED,H2OK40.96
HY1PHENYLACETALDEHYDEA,B1D6U0.96
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.75
PXYPARA-XYLENEA187L0.75
PXYPARA-XYLENEA225L0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		1VQ60.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQP0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z		1VQN0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.7
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.73
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.73
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.73
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.73
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
MQ9MENAQUINONE-9C,H,L,M3D380.75
MQ9MENAQUINONE-9C,H,L,M1VRN0.75
MQ9MENAQUINONE-9C,H,L,M2I5N0.75
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.75
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.74
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.75
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.75
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.8
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.72
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.72
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.75
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.72
FPRPROPYLBENZENEC1RHK0.77
I4BISOBUTYLBENZENEA184L0.75
MBNTOLUENEA,B3D7O0.74
MBNTOLUENEA,B1R1X0.74
MBNTOLUENEA,B1JLX0.74
MBNTOLUENEA,B,C,D3D170.74
MBNTOLUENEA,B2VRL0.74
MBNTOLUENEA,I2Z3E0.74
MBNTOLUENEA,B1YZI0.74
MBNTOLUENEA,B2DN10.74
MBNTOLUENEA,B3EN10.74
MQ7MENAQUINONE-7C,H,L,M1PRC0.75
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.75
MQ7MENAQUINONE-7C,H,L,M5PRC0.75
MQ7MENAQUINONE-7C,H,L,M7PRC0.75
MQ7MENAQUINONE-7C,H,L,M2PRC0.75
MQ7MENAQUINONE-7C,H,L,M1R2C0.75
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.75
MQ7MENAQUINONE-7C,H,L,M3PRC0.75
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.75
MQ7MENAQUINONE-7C,H,L,M2JBL0.75
MQ7MENAQUINONE-7C,H,L,M6PRC0.75
PAC2-PHENYLACETIC ACIDB1PNL0.75
PAC2-PHENYLACETIC ACIDB1K5Q0.75
PAC2-PHENYLACETIC ACIDB1FXH0.75
PAC2-PHENYLACETIC ACIDA2ISF0.75
PAC2-PHENYLACETIC ACIDA2INE0.75
OXEORTHO-XYLENEA,B3E0X0.8
OXEORTHO-XYLENEA188L0.8
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.91
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.73
BFLA,B1Q4G0.72
HBXbenzaldehydeA,B3GDN0.85
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.8
HCIHYDROCINNAMIC ACIDA,B1BXG0.76
HCIHYDROCINNAMIC ACIDA,B1TOG0.76
HCIHYDROCINNAMIC ACIDA,B1V2F0.76
HCIHYDROCINNAMIC ACIDA,B1AHX0.76
HCIHYDROCINNAMIC ACIDA1TOI0.76
HCIHYDROCINNAMIC ACIDA,B1AY80.76
HCIHYDROCINNAMIC ACIDA1TOJ0.76
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
N4BN-BUTYLBENZENEA186L0.77
PHAPHENYLALANINALA,B1OB20.78
PHAPHENYLALANINALV,Y,Z2WDG0.78
PHAPHENYLALANINALV,Y,Z2WDK0.78
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.78
PHAPHENYLALANINALP3SGA0.78
PHAPHENYLALANINALA,B,C,D,E,F1OB50.78
PHAPHENYLALANINALV,Y,Z2WDM0.78
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.78
PHAPHENYLALANINALA,B1KDV0.78
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.78
PHAPHENYLALANINALA,B1KDY0.78
PHAPHENYLALANINALV,Y,Z3FIC0.78
PHAPHENYLALANINALV,Y,Z2WDH0.78
PHAPHENYLALANINALA,B1KE20.78
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.76
BDBA,B1KE30.71
AC01-PHENYLETHANONEA1ZK10.83
AC01-PHENYLETHANONEA1ZK40.83
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.71
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
BZQDIPHENYLMETHANONEA,B1GT50.78
BZQDIPHENYLMETHANONEA,B1DZP0.78
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.75
PEL2-PHENYL-ETHANOLA,B1I0D0.7
PEL2-PHENYL-ETHANOLD,H2I0T0.7
PEL2-PHENYL-ETHANOLA,B1HZY0.7
PEL2-PHENYL-ETHANOLA,B1I0B0.7
PEL2-PHENYL-ETHANOLA1EYW0.7
PEL2-PHENYL-ETHANOLA,B1JGM0.7
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.75
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.75
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.75
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.75
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		1QZV0.75
PHMPHENYLALANYLMETHANEA,I1PJP0.72
PHMPHENYLALANYLMETHANEA,B,C2J9J0.72
PHMPHENYLALANYLMETHANEA,B,C2JE40.72
NPYNAPHTHALENEA,B1O7G0.71
1LPTRANYLCYPROMINEA,B1OJB0.96