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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02231351

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GAMALPHA-METHYL-L-GLUTAMIC ACIDA,B1BJO0.87
SYM2S,4R-4-METHYLGLUTAMATEA,B1SD30.77
IILISO-ISOLEUCINEA,B,C,D1Q4V0.76
IILISO-ISOLEUCINEA1KMF0.76
IILISO-ISOLEUCINEA,B,C1TGG0.76
IILISO-ISOLEUCINEA1RH40.76
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HOZ0.72
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HP20.72
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HP10.72
2ML2-METHYLLEUCINEA,B,C1I1L0.89
2ML2-METHYLLEUCINEA2RM90.89
2ML2-METHYLLEUCINEA2RMD0.89
DILD-ISOLEUCINEA,B2Q330.76
DILD-ISOLEUCINEA1CWZ0.76
DILD-ISOLEUCINEA1CVQ0.76
DILD-ISOLEUCINEA1C4B0.76
DILD-ISOLEUCINEA1CW80.76
DILD-ISOLEUCINEA2AP80.76
LED(4R)-5-OXO-L-LEUCINEA2IUW0.72
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.73
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1OB60.72
AIBALPHA-AMINOISOBUTYRIC ACIDA1FVN0.72
AIBALPHA-AMINOISOBUTYRIC ACIDH,I4THN0.72
AIBALPHA-AMINOISOBUTYRIC ACIDA3CMH0.72
AIBALPHA-AMINOISOBUTYRIC ACIDA6CMH0.72
AIBALPHA-AMINOISOBUTYRIC ACIDA,B,C1AMT0.72
AIBALPHA-AMINOISOBUTYRIC ACIDP1F580.72
AIBALPHA-AMINOISOBUTYRIC ACIDP,Q,R,S2FX80.72
AIBALPHA-AMINOISOBUTYRIC ACIDA1GQ00.72
AIBALPHA-AMINOISOBUTYRIC ACIDA1R9U0.72
AIBALPHA-AMINOISOBUTYRIC ACIDA1OB70.72
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1FEV0.72
AIBALPHA-AMINOISOBUTYRIC ACIDA1DLZ0.72
AIBALPHA-AMINOISOBUTYRIC ACIDB2GV20.72
AIBALPHA-AMINOISOBUTYRIC ACIDA1IH90.72
AIBALPHA-AMINOISOBUTYRIC ACIDL3FE70.72
AIBALPHA-AMINOISOBUTYRIC ACIDA1GO90.72
AIBALPHA-AMINOISOBUTYRIC ACIDA1GOE0.72
AIBALPHA-AMINOISOBUTYRIC ACIDA,L,M3FEA0.72
AIBALPHA-AMINOISOBUTYRIC ACIDA1OB40.72
AIBALPHA-AMINOISOBUTYRIC ACIDH,I5GDS0.72
AIBALPHA-AMINOISOBUTYRIC ACIDE,I1QR30.72
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1JOH0.72
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1M240.72
AIBALPHA-AMINOISOBUTYRIC ACIDA,B1V6D0.72
AIBALPHA-AMINOISOBUTYRIC ACIDA,B,C,D,F,Q1EFR0.72
AIBALPHA-AMINOISOBUTYRIC ACIDP1AI10.72
AIBALPHA-AMINOISOBUTYRIC ACIDA1EE70.72
DIVD-ISOVALINEA1IH90.79
DIVD-ISOVALINEA1DLZ0.79
DIVD-ISOVALINEA1OB40.79
DIVD-ISOVALINEA,B1JOH0.79
DIVD-ISOVALINEA1EE70.79
DIVD-ISOVALINEA,B1OB60.79
DIVD-ISOVALINEA1GQ00.79
DIVD-ISOVALINEA1OB70.79
DIVD-ISOVALINEA1R9U0.79
1921-AMINOCYCLOBUTANECARBOXLIC ACIDA1Y1Z0.82
GAU(4S)-4-AMINO-5-HYDROXYPENTANOIC ACIDA,B,C,D2CV10.71
GAU(4S)-4-AMINO-5-HYDROXYPENTANOIC ACIDA,B,C,D2DXI0.71
ABUGAMMA-AMINO-BUTANOIC ACIDE,I,J1M1A0.73
ABUGAMMA-AMINO-BUTANOIC ACIDD,I,J1M180.73
ABUGAMMA-AMINO-BUTANOIC ACIDA2OKK0.73
ABUGAMMA-AMINO-BUTANOIC ACIDI1QUR0.73
ABUGAMMA-AMINO-BUTANOIC ACIDE,I,J1M190.73
ABUGAMMA-AMINO-BUTANOIC ACIDA,B2OKJ0.73
ABUGAMMA-AMINO-BUTANOIC ACIDA,B1CGL0.73
ABUGAMMA-AMINO-BUTANOIC ACIDA6JDW0.73
ABUGAMMA-AMINO-BUTANOIC ACIDA,D,E,G,I,J1S320.73
ABUGAMMA-AMINO-BUTANOIC ACIDA,B2JT90.73
MLEN-METHYLLEUCINEA,D2J9A0.7
MLEN-METHYLLEUCINEC1IKF0.7
MLEN-METHYLLEUCINEA,M,N2Z6W0.7
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.7
MLEN-METHYLLEUCINED,E,F1XQ70.7
MLEN-METHYLLEUCINEC1CWA0.7
MLEN-METHYLLEUCINEC1CWF0.7
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.7
MLEN-METHYLLEUCINEB3CYS0.7
MLEN-METHYLLEUCINEC1CWH0.7
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.7
MLEN-METHYLLEUCINEC1CYN0.7
MLEN-METHYLLEUCINEA1LV90.7
MLEN-METHYLLEUCINEC,D2OJU0.7
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.7
MLEN-METHYLLEUCINEA1IKM0.7
MLEN-METHYLLEUCINEC1CWK0.7
MLEN-METHYLLEUCINEA,B2HG80.7
MLEN-METHYLLEUCINEC1CWB0.7
MLEN-METHYLLEUCINEC1CWJ0.7
MLEN-METHYLLEUCINEA1CYB0.7
MLEN-METHYLLEUCINED1QNG0.7
MLEN-METHYLLEUCINEB1MIK0.7
MLEN-METHYLLEUCINEA1CSA0.7
MLEN-METHYLLEUCINEC1CWL0.7
MLEN-METHYLLEUCINEA1CYA0.7
MLEN-METHYLLEUCINEA,B,D1MF80.7
MLEN-METHYLLEUCINEC1BCK0.7
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.7
MLEN-METHYLLEUCINEC1CWC0.7
MLEN-METHYLLEUCINEC1CWI0.7
MLEN-METHYLLEUCINEC,D1QNH0.7
MLEN-METHYLLEUCINEB,D,F,H2RMC0.7
MLEN-METHYLLEUCINEC1CWM0.7
MLEN-METHYLLEUCINET,U,V2POY0.7
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.7
MLEN-METHYLLEUCINEC1CWO0.7
MLEN-METHYLLEUCINEA1IKL0.7
DMOALPHA-DIFLUOROMETHYLORNITHINEA,B,C,D2TOD0.7
CPC2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACIDC,D193D0.7
DGLD-GLUTAMIC ACIDA,B2JFX0.71
DGLD-GLUTAMIC ACIDA,B,C,H,K,L2R5D0.71
DGLD-GLUTAMIC ACIDA1C4B0.71
DGLD-GLUTAMIC ACIDA1CW80.71
DGLD-GLUTAMIC ACIDA,D1CZQ0.71
DGLD-GLUTAMIC ACIDA,B2JFY0.71
DGLD-GLUTAMIC ACIDI1QUR0.71
DGLD-GLUTAMIC ACIDA,D2Q3I0.71
DGLD-GLUTAMIC ACIDA1CVQ0.71
DGLD-GLUTAMIC ACIDA,B1P4N0.71
DGLD-GLUTAMIC ACIDA,B2VVT0.71
DGLD-GLUTAMIC ACIDE,S148L0.71
DGLD-GLUTAMIC ACIDA1KR60.71
DGLD-GLUTAMIC ACIDA,B,C,D2GZM0.71
DGLD-GLUTAMIC ACIDA1AY30.71
DGLD-GLUTAMIC ACIDA2J8F0.71
DGLD-GLUTAMIC ACIDU2AIZ0.71
DGLD-GLUTAMIC ACIDA,B,C2DWU0.71
DGLD-GLUTAMIC ACIDL2EAX0.71
DGLD-GLUTAMIC ACIDA,B2JFZ0.71
DGLD-GLUTAMIC ACIDH,I4THN0.71
DGLD-GLUTAMIC ACIDA1CWZ0.71
DGLD-GLUTAMIC ACIDP1MCK0.71
DGLD-GLUTAMIC ACIDA2JUE0.71
DGLD-GLUTAMIC ACIDA,B2JFO0.71
DGLD-GLUTAMIC ACIDA3H410.71
DGLD-GLUTAMIC ACIDA1D0K0.71
DGLD-GLUTAMIC ACIDL,N1WCO0.71
DGLD-GLUTAMIC ACIDA,B,C1ZUW0.71
DGLD-GLUTAMIC ACIDH,I5GDS0.71
DGLD-GLUTAMIC ACIDA,B,C,H,K,L2R5B0.71
DGLD-GLUTAMIC ACIDA,B2JFQ0.71
DGLD-GLUTAMIC ACIDA,B2Q330.71
DGLD-GLUTAMIC ACIDA,B2JFP0.71
DGLD-GLUTAMIC ACIDA,B,E,F2W4I0.71
DGLD-GLUTAMIC ACIDA2J8G0.71
DGLD-GLUTAMIC ACIDA,B,C,D2R3C0.71
NVANORVALINEB,C1CA80.74
NVANORVALINEB,C,D1BA80.74
NVANORVALINEA1C9Y0.74
NVANORVALINEA,D2BTE0.74
NVANORVALINEA1OBH0.74
NVANORVALINEE,S1Z3P0.74
NVANORVALINEA1ZNM0.74
NVANORVALINEA1JDX0.74
NVANORVALINEA1FB50.74
NVANORVALINEA1OBC0.74
NVANORVALINE11YYY0.74
NVANORVALINEA,B1B6H0.74
NVANORVALINEA,B1ZZZ0.74
NVANORVALINEA,B,C2I6U0.74
NVANORVALINEB,C1BB00.74
NVANORVALINEE,S1Z3M0.74
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5N0.74
MEG(2S,3R)-3-METHYL-GLUTAMIC ACIDA1T5M0.74
LEF(4S)-5-FLUORO-L-LEUCINEA1OGW0.76
DLED-LEUCINEA,B1ALZ0.79
DLED-LEUCINEA,B1BDW0.79
DLED-LEUCINEA,D1CZQ0.79
DLED-LEUCINEA1BFW0.79
DLED-LEUCINEE,F,G,H1XN20.79
DLED-LEUCINEA,B,C,D1GMK0.79
DLED-LEUCINEA,B1TKQ0.79
DLED-LEUCINEA,B,C,H,K,L2R5D0.79
DLED-LEUCINEA2NPV0.79
DLED-LEUCINEA,B,C,D2R3C0.79
DLED-LEUCINEB,D,E1AFQ0.79
DLED-LEUCINEA,B1MIC0.79
DLED-LEUCINEA,B1NRU0.79
DLED-LEUCINEA,B1JNO0.79
DLED-LEUCINEA,B1GRM0.79
DLED-LEUCINEA,B1NRM0.79
DLED-LEUCINEA,D2Q3I0.79
DLED-LEUCINEA,B1NT50.79
DLED-LEUCINEA2JUE0.79
DLED-LEUCINEA,B,C,D1AV20.79
DLED-LEUCINEA1YY20.79
DLED-LEUCINEA,B1AL40.79
DLED-LEUCINEA,B1NG80.79
DLED-LEUCINEA,B1ALX0.79
DLED-LEUCINEA,B1JO40.79
DLED-LEUCINEA,B,C,H,K,L2R5B0.79
DLED-LEUCINEA,B1MAG0.79
DLED-LEUCINEA,B1NT60.79
DLED-LEUCINEA,B2Q330.79
DLED-LEUCINEA,B1JO30.79
DLED-LEUCINEE,I1BLL0.79
DLED-LEUCINEA,B1KQE0.79
DLED-LEUCINEA,B,C,D1W5U0.79
DLED-LEUCINEA,B,C,D2IZQ0.79
DLED-LEUCINEA1C4B0.79
DLED-LEUCINEA,B,C,D1C4D0.79
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.71
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.71
4MV4-METHYL VALERIC ACIDA2ECO0.71
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.71
4MV4-METHYL VALERIC ACIDA,B2COG0.71
DAVDELTA-AMINO VALERIC ACIDA1H7O0.7
DAVDELTA-AMINO VALERIC ACIDA7JDW0.7
VIG4-AMINO HEXANOIC ACIDA,B,C,D1OHW0.77
LME(3R)-3-METHYL-L-GLUTAMIC ACIDA1XT70.74
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA3C3G0.71
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA2OXK0.71
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C,D3C3F0.71
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C3HEZ0.71
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C2OXJ0.71
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.73
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.73
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.73
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.73
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.73
MGN2-METHYL-GLUTAMINEA,B,C,D,E,F1HBM0.78
MGN2-METHYL-GLUTAMINEA,B,C,D,E,F1HBN0.78
MGN2-METHYL-GLUTAMINEA,B,C,D,E,F1HBU0.78
MGN2-METHYL-GLUTAMINEA,B,C,D,E,F1HBO0.78
MGN2-METHYL-GLUTAMINEA,C,D,F1MRO0.78
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.76