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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03917619

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.73
PXYPARA-XYLENEA187L0.78
PXYPARA-XYLENEA225L0.78
AC01-PHENYLETHANONEA1ZK10.86
AC01-PHENYLETHANONEA1ZK40.86
3PL3-PHENYLPROPANALE1Y3G0.87
DENINDENEA183L0.73
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.7
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.7
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.78
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.78
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.78
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.77
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.78
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.78
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.78
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.78
BDBA,B1KE30.74
MQ9MENAQUINONE-9C,H,L,M3D380.78
MQ9MENAQUINONE-9C,H,L,M1VRN0.78
MQ9MENAQUINONE-9C,H,L,M2I5N0.78
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.78
FLPFLURBIPROFENA,B,C,D3PGH0.7
FLPFLURBIPROFENA,B1CQE0.7
FLPFLURBIPROFENA,B1EQH0.7
FLPFLURBIPROFENA,B2AYL0.7
FLPFLURBIPROFENA1DVT0.7
FLPFLURBIPROFENA1R9O0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.74
I4BISOBUTYLBENZENEA184L0.78
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.75
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.75
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.75
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.7
MQ7MENAQUINONE-7C,H,L,M1PRC0.78
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.78
MQ7MENAQUINONE-7C,H,L,M5PRC0.78
MQ7MENAQUINONE-7C,H,L,M7PRC0.78
MQ7MENAQUINONE-7C,H,L,M2PRC0.78
MQ7MENAQUINONE-7C,H,L,M1R2C0.78
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.78
MQ7MENAQUINONE-7C,H,L,M3PRC0.78
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.78
MQ7MENAQUINONE-7C,H,L,M2JBL0.78
MQ7MENAQUINONE-7C,H,L,M6PRC0.78
MBNTOLUENEA,B3D7O0.75
MBNTOLUENEA,B1R1X0.75
MBNTOLUENEA,B1JLX0.75
MBNTOLUENEA,B,C,D3D170.75
MBNTOLUENEA,B2VRL0.75
MBNTOLUENEA,I2Z3E0.75
MBNTOLUENEA,B1YZI0.75
MBNTOLUENEA,B2DN10.75
MBNTOLUENEA,B3EN10.75
PAC2-PHENYLACETIC ACIDB1PNL0.76
PAC2-PHENYLACETIC ACIDB1K5Q0.76
PAC2-PHENYLACETIC ACIDB1FXH0.76
PAC2-PHENYLACETIC ACIDA2ISF0.76
PAC2-PHENYLACETIC ACIDA2INE0.76
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.76
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
HY1PHENYLACETALDEHYDED,H2I0S0.86
HY1PHENYLACETALDEHYDEA,B1D6Y0.86
HY1PHENYLACETALDEHYDEA,B1D6Z0.86
HY1PHENYLACETALDEHYDED,H2OK40.86
HY1PHENYLACETALDEHYDEA,B1D6U0.86
FPRPROPYLBENZENEC1RHK0.78
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.7
CLT4-PHENYL-BUTANOIC ACIDA1THL0.78
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.78
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.78
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.74
MQ8MENAQUINONE 8C,H,L,M1EYS0.78
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P		1GUL0.7
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.71
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.71
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.72
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.72
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.72
NFAPHENYLALANINE AMIDEA2A4O0.72
NFAPHENYLALANINE AMIDEA,B1XAE0.72
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.72
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.72
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.72
7912-PHENYLMALONIC ACIDA1O4P0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.8
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.91
BZSL-BENZYLSUCCINIC ACIDA1CBX0.74
BZSL-BENZYLSUCCINIC ACIDA1HYT0.74
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.74
ANQACENAPHTHENEQUINONEH,J1OAX0.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.78
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.78
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.78
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.78
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.78
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		1QZV0.78
VK3MENADIONEA1TUV0.78
VK3MENADIONEA,B2QR20.78
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		1VQ60.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.71
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		1VQP0.71
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		1VQN0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.71
173BENZOYL-FORMIC ACIDA,B1SZE0.71
BFLA,B1Q4G0.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.8
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
HBXbenzaldehydeA,B3GDN0.77
IBPIBUPROFENA3FKX0.76
IBPIBUPROFENA,B2BXG0.76
IBPIBUPROFENA,B1EQG0.76
IBPIBUPROFENA,B,C2WD90.76
IBPIBUPROFENA2PWS0.76
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.8
PYLPHENYLETHANEC1B070.78
PYLPHENYLETHANEA,B2VRM0.78
PYLPHENYLETHANEA1NHB0.78
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one		A,B3DEA0.74
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.76
PHAPHENYLALANINALA,B1OB20.72
PHAPHENYLALANINALV,Y,Z2WDG0.72
PHAPHENYLALANINALV,Y,Z2WDK0.72
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.72
PHAPHENYLALANINALP3SGA0.72
PHAPHENYLALANINALA,B,C,D,E,F1OB50.72
PHAPHENYLALANINALV,Y,Z2WDM0.72
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.72
PHAPHENYLALANINALA,B1KDV0.72
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.72
PHAPHENYLALANINALA,B1KDY0.72
PHAPHENYLALANINALV,Y,Z3FIC0.72
PHAPHENYLALANINALV,Y,Z2WDH0.72
PHAPHENYLALANINALA,B1KE20.72
BZQDIPHENYLMETHANONEA,B1GT50.86
BZQDIPHENYLMETHANONEA,B1DZP0.86
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H		2O780.7
1LPTRANYLCYPROMINEA,B1OJB0.84
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.72
N4BN-BUTYLBENZENEA186L0.78
PHMPHENYLALANYLMETHANEA,I1PJP0.77
PHMPHENYLALANYLMETHANEA,B,C2J9J0.77
PHMPHENYLALANYLMETHANEA,B,C2JE40.77
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.78
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.72
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.84
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.79