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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02227254

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HBXbenzaldehydeA,B3GDN0.83
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.7
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.7
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.75
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.86
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.81
I4BISOBUTYLBENZENEA184L0.77
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.71
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.71
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.71
NFAPHENYLALANINE AMIDEA2A4O0.71
NFAPHENYLALANINE AMIDEA,B1XAE0.71
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.71
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.71
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.71
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
5PV5-PHENYLVALERIC ACIDA,B2AY90.77
7912-PHENYLMALONIC ACIDA1O4P0.7
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.77
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.77
IBPIBUPROFENA3FKX0.74
IBPIBUPROFENA,B2BXG0.74
IBPIBUPROFENA,B1EQG0.74
IBPIBUPROFENA,B,C2WD90.74
IBPIBUPROFENA2PWS0.74
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.77
PXYPARA-XYLENEA187L0.77
PXYPARA-XYLENEA225L0.77
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.73
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
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P		1GUL0.72
AC6P-HYDROXYACETOPHENONEA2GQ80.7
AC6P-HYDROXYACETOPHENONEX2O480.7
N4BN-BUTYLBENZENEA186L0.79
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.77
BZSL-BENZYLSUCCINIC ACIDA1CBX0.71
BZSL-BENZYLSUCCINIC ACIDA1HYT0.71
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.71
HCIHYDROCINNAMIC ACIDA,B1BXG0.78
HCIHYDROCINNAMIC ACIDA,B1TOG0.78
HCIHYDROCINNAMIC ACIDA,B1V2F0.78
HCIHYDROCINNAMIC ACIDA,B1AHX0.78
HCIHYDROCINNAMIC ACIDA1TOI0.78
HCIHYDROCINNAMIC ACIDA,B1AY80.78
HCIHYDROCINNAMIC ACIDA1TOJ0.78
CLT4-PHENYL-BUTANOIC ACIDA1THL0.77
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.77
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.77
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.7
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.78
PHAPHENYLALANINALA,B1OB20.71
PHAPHENYLALANINALV,Y,Z2WDG0.71
PHAPHENYLALANINALV,Y,Z2WDK0.71
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.71
PHAPHENYLALANINALP3SGA0.71
PHAPHENYLALANINALA,B,C,D,E,F1OB50.71
PHAPHENYLALANINALV,Y,Z2WDM0.71
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.71
PHAPHENYLALANINALA,B1KDV0.71
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.71
PHAPHENYLALANINALA,B1KDY0.71
PHAPHENYLALANINALV,Y,Z3FIC0.71
PHAPHENYLALANINALV,Y,Z2WDH0.71
PHAPHENYLALANINALA,B1KE20.71
AC01-PHENYLETHANONEA1ZK10.96
AC01-PHENYLETHANONEA1ZK40.96
DENINDENEA183L0.72
OXEORTHO-XYLENEA,B3E0X0.77
OXEORTHO-XYLENEA188L0.77
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.73
PYLPHENYLETHANEC1B070.79
PYLPHENYLETHANEA,B2VRM0.79
PYLPHENYLETHANEA1NHB0.79
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
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.83
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.83
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.83
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.84
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.77
MBNTOLUENEA,B3D7O0.76
MBNTOLUENEA,B1R1X0.76
MBNTOLUENEA,B1JLX0.76
MBNTOLUENEA,B,C,D3D170.76
MBNTOLUENEA,B2VRL0.76
MBNTOLUENEA,I2Z3E0.76
MBNTOLUENEA,B1YZI0.76
MBNTOLUENEA,B2DN10.76
MBNTOLUENEA,B3EN10.76
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid		A2RHT0.74
3PL3-PHENYLPROPANALE1Y3G0.86
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
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
BFLA,B1Q4G0.72
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.79
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.79
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.79
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.79
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.73
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.73
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H		2O780.73
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.81
BZQDIPHENYLMETHANONEA,B1GT50.89
BZQDIPHENYLMETHANONEA,B1DZP0.89
173BENZOYL-FORMIC ACIDA,B1SZE0.76
1LPTRANYLCYPROMINEA,B1OJB0.85
VK3MENADIONEA1TUV0.86
VK3MENADIONEA,B2QR20.86
ANQACENAPHTHENEQUINONEH,J1OAX0.75
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
HY1PHENYLACETALDEHYDED,H2I0S0.88
HY1PHENYLACETALDEHYDEA,B1D6Y0.88
HY1PHENYLACETALDEHYDEA,B1D6Z0.88
HY1PHENYLACETALDEHYDED,H2OK40.88
HY1PHENYLACETALDEHYDEA,B1D6U0.88
PHMPHENYLALANYLMETHANEA,I1PJP0.78
PHMPHENYLALANYLMETHANEA,B,C2J9J0.78
PHMPHENYLALANYLMETHANEA,B,C2JE40.78
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid		A2RHW0.74
BDBA,B1KE30.71
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE		A1SCW0.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.72
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.77
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.92
MQ8MENAQUINONE 8C,H,L,M1EYS0.81
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one		A,B3DEA0.73
FPRPROPYLBENZENEC1RHK0.79
PAC2-PHENYLACETIC ACIDB1PNL0.77
PAC2-PHENYLACETIC ACIDB1K5Q0.77
PAC2-PHENYLACETIC ACIDB1FXH0.77
PAC2-PHENYLACETIC ACIDA2ISF0.77
PAC2-PHENYLACETIC ACIDA2INE0.77
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.77