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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01526531

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.71
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.71
DAVDELTA-AMINO VALERIC ACIDA1H7O0.83
DAVDELTA-AMINO VALERIC ACIDA7JDW0.83
DLED-LEUCINEA,B1ALZ0.77
DLED-LEUCINEA,B1BDW0.77
DLED-LEUCINEA,D1CZQ0.77
DLED-LEUCINEA1BFW0.77
DLED-LEUCINEE,F,G,H1XN20.77
DLED-LEUCINEA,B,C,D1GMK0.77
DLED-LEUCINEA,B1TKQ0.77
DLED-LEUCINEA,B,C,H,K,L2R5D0.77
DLED-LEUCINEA2NPV0.77
DLED-LEUCINEA,B,C,D2R3C0.77
DLED-LEUCINEB,D,E1AFQ0.77
DLED-LEUCINEA,B1MIC0.77
DLED-LEUCINEA,B1NRU0.77
DLED-LEUCINEA,B1JNO0.77
DLED-LEUCINEA,B1GRM0.77
DLED-LEUCINEA,B1NRM0.77
DLED-LEUCINEA,D2Q3I0.77
DLED-LEUCINEA,B1NT50.77
DLED-LEUCINEA2JUE0.77
DLED-LEUCINEA,B,C,D1AV20.77
DLED-LEUCINEA1YY20.77
DLED-LEUCINEA,B1AL40.77
DLED-LEUCINEA,B1NG80.77
DLED-LEUCINEA,B1ALX0.77
DLED-LEUCINEA,B1JO40.77
DLED-LEUCINEA,B,C,H,K,L2R5B0.77
DLED-LEUCINEA,B1MAG0.77
DLED-LEUCINEA,B1NT60.77
DLED-LEUCINEA,B2Q330.77
DLED-LEUCINEA,B1JO30.77
DLED-LEUCINEE,I1BLL0.77
DLED-LEUCINEA,B1KQE0.77
DLED-LEUCINEA,B,C,D1W5U0.77
DLED-LEUCINEA,B,C,D2IZQ0.77
DLED-LEUCINEA1C4B0.77
DLED-LEUCINEA,B,C,D1C4D0.77
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.72
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.72
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.72
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HOZ0.74
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HP20.74
HOZ(4S)-4,5-DIAMINOPENTANOIC ACIDA,B2HP10.74
ACA6-AMINOHEXANOIC ACIDA,B2JT90.74
ACA6-AMINOHEXANOIC ACIDA,B1CEA0.74
ACA6-AMINOHEXANOIC ACIDC1ILP0.74
ACA6-AMINOHEXANOIC ACIDA2PK40.74
ACA6-AMINOHEXANOIC ACID1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.74
ACA6-AMINOHEXANOIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		1VQ60.74
ACA6-AMINOHEXANOIC ACID0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.74
ACA6-AMINOHEXANOIC ACIDA1PK20.74
ACA6-AMINOHEXANOIC ACIDA2ZM70.74
ACA6-AMINOHEXANOIC ACID0,1,2,3,6,9,
A,B,C,D,F,H,
J,K,L,M,N,O,
Q,R,S,T,U,Y,Z		3CMA0.74
ACA6-AMINOHEXANOIC ACIDC1ILQ0.74
ACA6-AMINOHEXANOIC ACIDA2ZM80.74
ACA6-AMINOHEXANOIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQK0.74
ACA6-AMINOHEXANOIC ACIDA2DCF0.74
ACA6-AMINOHEXANOIC ACIDA1HPK0.74
ACA6-AMINOHEXANOIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQ80.74
ACA6-AMINOHEXANOIC ACID0,1,2,3,6,9,
A,B,C,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		3CME0.74
ACA6-AMINOHEXANOIC ACIDA2ZM90.74
ACA6-AMINOHEXANOIC 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		1VQN0.74
ACA6-AMINOHEXANOIC ACIDA2ZMA0.74
ACA6-AMINOHEXANOIC ACIDA3KIV0.74
ACA6-AMINOHEXANOIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQ90.74
LEF(4S)-5-FLUORO-L-LEUCINEA1OGW0.81
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.71
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.71
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.71
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.71
PB13-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACIDA,B1PV80.72
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1CEB0.71
AMHTRANS-4-AMINOMETHYLCYCLOHEXANE-
1-CARBOXYLIC ACID		A1B2I0.71
DILD-ISOLEUCINEA,B2Q330.74
DILD-ISOLEUCINEA1CWZ0.74
DILD-ISOLEUCINEA1CVQ0.74
DILD-ISOLEUCINEA1C4B0.74
DILD-ISOLEUCINEA1CW80.74
DILD-ISOLEUCINEA2AP80.74
IILISO-ISOLEUCINEA,B,C,D1Q4V0.74
IILISO-ISOLEUCINEA1KMF0.74
IILISO-ISOLEUCINEA,B,C1TGG0.74
IILISO-ISOLEUCINEA1RH40.74
DMOALPHA-DIFLUOROMETHYLORNITHINEA,B,C,D2TOD0.88
2ML2-METHYLLEUCINEA,B,C1I1L0.71
2ML2-METHYLLEUCINEA2RM90.71
2ML2-METHYLLEUCINEA2RMD0.71
ORNORNITHINEE1LAH0.75
ORNORNITHINEB,C,E,F,H,I,
K,L		1JDB0.75
ORNORNITHINEA,Y1TK20.75
ORNORNITHINEA,B,C2W6U0.75
ORNORNITHINEA1T5M0.75
ORNORNITHINEA,B,C,D,E,G,H1BXR0.75
ORNORNITHINEA,B,C,D,E,F,
G,H		1KEE0.75
ORNORNITHINEA,B,C1HQG0.75
ORNORNITHINEA,B,C2W6T0.75
ORNORNITHINEA,B1X7D0.75
ORNORNITHINEA1T5N0.75
ORNORNITHINEA,B,C,D,E,F,
G,H		1CE80.75
ORNORNITHINEA1DSR0.75
ORNORNITHINEA,B,C,D,E,F,
G,H		1A9X0.75
ORNORNITHINEH,K,L,M,P,R1N0X0.75
ORNORNITHINEA,B2PM50.75
ORNORNITHINEA,B,C,D,E,F,
G,H		1CS00.75
ORNORNITHINEE,I1QR30.75
ORNORNITHINEA1HTH0.75
ORNORNITHINEA,B,C,D,E,F,
G,H		1M6V0.75
ORNORNITHINEA,B,C,D,E,F,
G,H		1C3O0.75
ORNORNITHINEA,B,C,D,E,F,
G,H		1C300.75
ORNORNITHINEA1XT70.75
ORNORNITHINEA3JDW0.75
ORNORNITHINEA,B,C,D,E,F,
G,H		1T360.75
ORNORNITHINEA,B1B2H0.75
ORNORNITHINEA,B,C,D,E,F4CEV0.75