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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02263706

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HSEL-HOMOSERINEA2VDJ0.75
HSEL-HOMOSERINEA,B,C,D1EBU0.75
HSEL-HOMOSERINEA,C1J9N0.75
HSEL-HOMOSERINEA1PQP0.75
HSEL-HOMOSERINEC1H720.75
HSEL-HOMOSERINEE,F3DKS0.75
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.72
API2,6-DIAMINOPIMELIC ACIDA2DAP0.72
API2,6-DIAMINOPIMELIC ACIDE,S148L0.72
6CL6-CARBOXYLYSINEU2AIZ0.72
NLOO-METHYL-L-NORLEUCINEA,B1S4A0.71
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.77
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.77
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.77
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.77
HLUBETA-HYDROXYLEUCINEA1ROV0.7
DDO6-HYDROXY-D-NORLEUCINEA,B,C,D1JSL0.81
UN12-AMINOHEXANEDIOIC ACIDA,B,C,D1H0G0.72
ILX4,5-DIHYDROXYISOLEUCINEA,B,C,I,J,L,M3CQZ0.72
ILX4,5-DIHYDROXYISOLEUCINEA,B,C,I,J,L,M1K830.72
ILX4,5-DIHYDROXYISOLEUCINEA,B,C,I,J,L,
M,T
2VUM0.72
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA3C3G0.7
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA2OXK0.7
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C,D3C3F0.7
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C3HEZ0.7
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C2OXJ0.7
KAH5-AMINO-4-HYDROXYHEXANOIC ACIDA1H7P0.82
AHHAMINO-HYDROXYHEPTANOIC ACIDA,I3MAT0.75
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.7
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.7
0AZ(4R)-4-hydroxy-L-prolineA1GQ00.72
NPI2-AMINOPIMELIC ACIDA2TDT0.73
NPI2-AMINOPIMELIC ACIDA1KGQ0.73
ACA6-AMINOHEXANOIC ACIDA,B2JT90.71
ACA6-AMINOHEXANOIC ACIDA,B1CEA0.71
ACA6-AMINOHEXANOIC ACIDC1ILP0.71
ACA6-AMINOHEXANOIC ACIDA2PK40.71
ACA6-AMINOHEXANOIC ACID1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.71
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
1VQ60.71
ACA6-AMINOHEXANOIC ACID0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.71
ACA6-AMINOHEXANOIC ACIDA1PK20.71
ACA6-AMINOHEXANOIC ACIDA2ZM70.71
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
3CMA0.71
ACA6-AMINOHEXANOIC ACIDC1ILQ0.71
ACA6-AMINOHEXANOIC ACIDA2ZM80.71
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
1VQK0.71
ACA6-AMINOHEXANOIC ACIDA2DCF0.71
ACA6-AMINOHEXANOIC ACIDA1HPK0.71
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
1VQ80.71
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
3CME0.71
ACA6-AMINOHEXANOIC ACIDA2ZM90.71
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
1VQN0.71
ACA6-AMINOHEXANOIC ACIDA2ZMA0.71
ACA6-AMINOHEXANOIC ACIDA3KIV0.71
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
1VQ90.71
CANCANALINEA,B,C2CAN0.71
HYP4-HYDROXYPROLINEA1OB40.72
HYP4-HYDROXYPROLINEA,B,C1QSU0.72
HYP4-HYDROXYPROLINEA,C,E,G,I,K,
M,O
1GK80.72
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.72
HYP4-HYDROXYPROLINEE,F,G,H,I,J2F6A0.72
HYP4-HYDROXYPROLINEA1TCH0.72
HYP4-HYDROXYPROLINEA1KCP0.72
HYP4-HYDROXYPROLINEA2JTU0.72
HYP4-HYDROXYPROLINEA,B,C,I,J,L,M1K830.72
HYP4-HYDROXYPROLINEA3E2Q0.72
HYP4-HYDROXYPROLINEA1TR60.72
HYP4-HYDROXYPROLINEA1P1P0.72
HYP4-HYDROXYPROLINEB,C,E,F,H,I,
K,L,M,N,O,P,
Q,R,S,T
2HOD0.72
HYP4-HYDROXYPROLINEA,B,C,D2V530.72
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.72
HYP4-HYDROXYPROLINEA2VUV0.72
HYP4-HYDROXYPROLINEA1EYO0.72
HYP4-HYDROXYPROLINED,H2FES0.72
HYP4-HYDROXYPROLINEA,B,E,F3EJH0.72
HYP4-HYDROXYPROLINEA2JQB0.72
HYP4-HYDROXYPROLINEA2P4L0.72
HYP4-HYDROXYPROLINEA2H9X0.72
HYP4-HYDROXYPROLINEA1AV30.72
HYP4-HYDROXYPROLINEA1TCJ0.72
HYP4-HYDROXYPROLINEA2IHA0.72
HYP4-HYDROXYPROLINEA,B,C1BKV0.72
HYP4-HYDROXYPROLINEA1R9U0.72
HYP4-HYDROXYPROLINEA1AG70.72
HYP4-HYDROXYPROLINEA1GQ00.72
HYP4-HYDROXYPROLINEA1R9I0.72
HYP4-HYDROXYPROLINEH1LM80.72
HYP4-HYDROXYPROLINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.72
HYP4-HYDROXYPROLINEA,B,C,D,E,F1EI80.72
HYP4-HYDROXYPROLINEA,B,C1Q7D0.72
HYP4-HYDROXYPROLINEA1VIB0.72
HYP4-HYDROXYPROLINED,H2FEQ0.72
HYP4-HYDROXYPROLINEA1DG00.72
HYP4-HYDROXYPROLINEB,C,D,F1DZI0.72
HYP4-HYDROXYPROLINEA1GIB0.72
HYP4-HYDROXYPROLINEA,D1LQB0.72
HYP4-HYDROXYPROLINEA,B,C3DMW0.72
HYP4-HYDROXYPROLINEA2JQC0.72
HYP4-HYDROXYPROLINEA,B,C,D,E,F1X1K0.72
HYP4-HYDROXYPROLINEA1IEO0.72
HYP4-HYDROXYPROLINED,H1NZQ0.72
HYP4-HYDROXYPROLINEA2JRY0.72
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.72
HYP4-HYDROXYPROLINEA,B1JOH0.72
HYP4-HYDROXYPROLINEA1PQR0.72
HYP4-HYDROXYPROLINEA1TTL0.72
HYP4-HYDROXYPROLINEA2B5Q0.72
HYP4-HYDROXYPROLINEA,B,C1CAG0.72
HYP4-HYDROXYPROLINEA2EW40.72
HYP4-HYDROXYPROLINEB,C,E,F,G,H2HLO0.72
HYP4-HYDROXYPROLINEA2YYF0.72
HYP4-HYDROXYPROLINEA1G1P0.72
HYP4-HYDROXYPROLINEA,B,D,E,H,K,
O,R,V
1UWA0.72
HYP4-HYDROXYPROLINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.72
HYP4-HYDROXYPROLINEA2VUZ0.72
HYP4-HYDROXYPROLINEA1QFB0.72
HYP4-HYDROXYPROLINED,H1O0D0.72
HYP4-HYDROXYPROLINEA,B,C,D,E,F2D3F0.72
HYP4-HYDROXYPROLINEA2J150.72
HYP4-HYDROXYPROLINEA1DFZ0.72
HYP4-HYDROXYPROLINEA,B1OB60.72
HYP4-HYDROXYPROLINEA,B,C,I,J,L,M3CQZ0.72
HYP4-HYDROXYPROLINE1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,O,P,
S,T,U,V,W,X,
Y,Z
1IR20.72
HYP4-HYDROXYPROLINEA1TCK0.72
HYP4-HYDROXYPROLINEA1G1Z0.72
HYP4-HYDROXYPROLINEA,B,D,E,F,G1YM80.72
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.72
HYP4-HYDROXYPROLINEA1MTQ0.72
HYP4-HYDROXYPROLINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.72
HYP4-HYDROXYPROLINEA,B,C1V7H0.72
HYP4-HYDROXYPROLINEA,B,G2G660.72
HYP4-HYDROXYPROLINEA1OB70.72
HYP4-HYDROXYPROLINEA1OMC0.72
HYP4-HYDROXYPROLINEX2HCZ0.72
HYP4-HYDROXYPROLINEA1DFY0.72
HYP4-HYDROXYPROLINEA,B,C,D,E,F2D3H0.72
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.72
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.72
HYP4-HYDROXYPROLINEA1IH90.72
HYP4-HYDROXYPROLINEA2IH60.72
HYP4-HYDROXYPROLINEA2IH70.72
HYP4-HYDROXYPROLINEA1JLP0.72
HYP4-HYDROXYPROLINEA,C,E,F2W650.72
HYP4-HYDROXYPROLINEA1AS50.72
HYP4-HYDROXYPROLINEA,B,C1V6Q0.72
HYP4-HYDROXYPROLINEA,B,C1V4F0.72
HYP4-HYDROXYPROLINEA,B,C1Y0F0.72
HYP4-HYDROXYPROLINEA,B,C2DRX0.72
HYP4-HYDROXYPROLINEA1K640.72
HYP4-HYDROXYPROLINEA,B,C1YGV0.72
HYP4-HYDROXYPROLINEA2B5P0.72
HYP4-HYDROXYPROLINEA,B,C2DRT0.72
HYP4-HYDROXYPROLINEA2CCO0.72
HYP4-HYDROXYPROLINEA1WCT0.72
HYP4-HYDROXYPROLINEA1D7T0.72
HYP4-HYDROXYPROLINEA1JLO0.72
HYP4-HYDROXYPROLINEA,B,C1CGD0.72
HYP4-HYDROXYPROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.72
HYP4-HYDROXYPROLINEH,P2A2X0.72
HYP4-HYDROXYPROLINEA1DLZ0.72
HYP4-HYDROXYPROLINEA,B,C,I,J,L,
M,T
2VUM0.72
HYP4-HYDROXYPROLINEA1TCG0.72
HYP4-HYDROXYPROLINEH,P2ANK0.72
HYP4-HYDROXYPROLINEA,B,C1WZB0.72
HYP4-HYDROXYPROLINEA1BDK0.72
EKE(4S,5R)-4-AMINO-5-HYDROXYHEXANOIC ACIDA,I2HAL0.75
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.76
DON6-DIAZENYL-5-OXO-L-NORLEUCINEA,B2OSU0.7
LDO6-HYDROXY-L-NORLEUCINEA,B,C,D1JSR0.81
AHY(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACIDA,D2J9A0.72
GHGGAMMA-HYDROXY-GLUTAMINEH,L1RUA0.73
GHGGAMMA-HYDROXY-GLUTAMINEH,L1RUL0.73
GHGGAMMA-HYDROXY-GLUTAMINEH,L1RU90.73
DNED-NORLEUCINEA1R9V0.77
DNED-NORLEUCINEA,B1S4A0.77
DNED-NORLEUCINEA,B1S1O0.77
DO22-AMINO-6-OXO-HEXANOIC ACIDA,B1DJP0.77
PCE2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-
BUTYL)-PENT-4-YNOIC ACID
A1FQ40.73
UN22-AMINO-4,4-DIHYDROXYBUTANOIC ACIDA,B,C,D1H0G0.71
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.73
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA2OXK0.72
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA,B,C2OXJ0.72
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA1J8N0.72
EXY6-[(2R)-oxiran-2-yl]-L-norleucineA,B3DJ80.75
AA42-AMINO-5-HYDROXYPENTANOIC ACIDB1MIK0.73
AA42-AMINO-5-HYDROXYPENTANOIC ACIDE,I1QR30.73
LIS(2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACIDA,B1O900.76
LIS(2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACIDA,B1O930.76
NLENORLEUCINEA1MMT0.77
NLENORLEUCINEA,B1JB60.77
NLENORLEUCINEC1K2B0.77
NLENORLEUCINEA,B,C2AVQ0.77
NLENORLEUCINEC,D,I,L1R1L0.77
NLENORLEUCINEE,S2RLN0.77
NLENORLEUCINEE,S1Z3L0.77
NLENORLEUCINEA,B,C2AOD0.77
NLENORLEUCINEA,B,C2J9J0.77
NLENORLEUCINEA,B,I4HVP0.77
NLENORLEUCINEA,B,C2AVM0.77
NLENORLEUCINEB,C1K1T0.77
NLENORLEUCINEA,B,C2AOC0.77
NLENORLEUCINEA,B,C2JE40.77
NLENORLEUCINEA,B,I3DCK0.77
NLENORLEUCINEB1EOL0.77
NLENORLEUCINEA1FF00.77
NLENORLEUCINEA1FG60.77
NLENORLEUCINEA1FGC0.77
NLENORLEUCINEE,S1Z3M0.77
NLENORLEUCINEA2RME0.77
NLENORLEUCINEB1FGL0.77
NLENORLEUCINEC1K1U0.77
NLENORLEUCINEA,B1B7H0.77
NLENORLEUCINEA1HTH0.77
NLENORLEUCINEA,B,D2J9K0.77
NLENORLEUCINEA2RMD0.77
NLENORLEUCINEA,B,C2AOG0.77
NLENORLEUCINEA2RMI0.77
NLENORLEUCINEI1EPO0.77
NLENORLEUCINEA1FFI0.77
NLENORLEUCINEA1HD90.77
NLENORLEUCINEA1FFF0.77
NLENORLEUCINEB2JND0.77
NLENORLEUCINEA1FEJ0.77
NLENORLEUCINEA2K9E0.77
NLENORLEUCINEC1CFN0.77
NLENORLEUCINEC1K2C0.77
NLENORLEUCINEA1WY40.77
NLENORLEUCINEA1FQ80.77
NLENORLEUCINEA,B1S1O0.77
NLENORLEUCINEA2F4K0.77
NLENORLEUCINEA,B1D5E0.77
NLENORLEUCINEA2JX40.77
NLENORLEUCINEA1FG80.77
NLENORLEUCINEA1WY30.77
NLENORLEUCINEI1YTJ0.77
NLENORLEUCINEA,B,I3DCR0.77
NLENORLEUCINEA,I2O400.77
NLENORLEUCINEA,B2GYP0.77
NLENORLEUCINEC,F1A8K0.77
NLENORLEUCINEC1BAI0.77
NLENORLEUCINEA,B2JT90.77
NLENORLEUCINEA2RM90.77
NLENORLEUCINEA,B1DAZ0.77
NLENORLEUCINEA1F3R0.77
NLENORLEUCINEA,I2JXR0.77
NLENORLEUCINEC,F1A940.77
NLENORLEUCINEA,B1S4A0.77
NLENORLEUCINEA1R9V0.77
NLENORLEUCINEA,B,C,D,E,F2Z2T0.77
DLYD-LYSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1YWH0.77
DLYD-LYSINEA1C4B0.77
DLYD-LYSINEA,B,C,D3BOG0.77
DLYD-LYSINEA1KO00.77
DLYD-LYSINEA,B,C,D3C1P0.77
DLYD-LYSINEA,B,C,H,K,L2R5D0.77
DLYD-LYSINEA,B,C,D2R3C0.77
DLYD-LYSINEA,B,C,H,K,L2R5B0.77
DLYD-LYSINEA,B2Q330.77
DLYD-LYSINEA,B2ATS0.77
DLYD-LYSINEA1RCQ0.77
GAU(4S)-4-AMINO-5-HYDROXYPENTANOIC ACIDA,B,C,D2CV10.7
GAU(4S)-4-AMINO-5-HYDROXYPENTANOIC ACIDA,B,C,D2DXI0.7
ONL5-OXO-L-NORLEUCINEA,B1ECG0.73
ONL5-OXO-L-NORLEUCINEA,B,C,D3DLA0.73
ONL5-OXO-L-NORLEUCINEA,X2Q3Z0.73
ONL5-OXO-L-NORLEUCINEA,B1ECC0.73
ONL5-OXO-L-NORLEUCINEA,B3BRM0.73
ONL5-OXO-L-NORLEUCINEA,B1OFE0.73
ONL5-OXO-L-NORLEUCINEA,B2J6H0.73
DA3A,B3DAP0.71
DHH(S)-2-AMINO-7,7-DIHYDROXYHEPTANOIC ACIDA,B,C1T5F0.76
LYZ5-HYDROXYLYSINEA,B,C,D1QGW0.79
LYZ5-HYDROXYLYSINEA,B,C,D1XG00.79
LYZ5-HYDROXYLYSINEA,B,C,D1XF60.79
LYZ5-HYDROXYLYSINEA,B,C1YGV0.79
LYZ5-HYDROXYLYSINEA,B,C1Y0F0.79
NVANORVALINEB,C1CA80.7
NVANORVALINEB,C,D1BA80.7
NVANORVALINEA1C9Y0.7
NVANORVALINEA,D2BTE0.7
NVANORVALINEA1OBH0.7
NVANORVALINEE,S1Z3P0.7
NVANORVALINEA1ZNM0.7
NVANORVALINEA1JDX0.7
NVANORVALINEA1FB50.7
NVANORVALINEA1OBC0.7
NVANORVALINE11YYY0.7
NVANORVALINEA,B1B6H0.7
NVANORVALINEA,B1ZZZ0.7
NVANORVALINEA,B,C2I6U0.7
NVANORVALINEB,C1BB00.7
NVANORVALINEE,S1Z3M0.7