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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018689

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MMEN-METHYL METHIONINEA,C,E,G,I,K,
M,O
1GK80.77
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.77
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.77
MMEN-METHYL METHIONINEA,E,S,W1WDD0.77
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.77
MMEN-METHYL METHIONINEA,B,C,D,S,T,
U,V
1IR10.77
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.77
MMEN-METHYL METHIONINE1,2,3,4,5,6,
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
1IR20.77
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.77
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.77
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.77
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.71
GTXS-HEXYLGLUTATHIONEA,B1AGS0.71
GTXS-HEXYLGLUTATHIONEA,B1PN90.71
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.71
GTXS-HEXYLGLUTATHIONEA,B2IMK0.71
GTXS-HEXYLGLUTATHIONEA,B4GSS0.71
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.71
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.71
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.71
GTXS-HEXYLGLUTATHIONEA,B2GLR0.71
GTXS-HEXYLGLUTATHIONEA,B2OA70.71
GTXS-HEXYLGLUTATHIONEA,C2AAW0.71
GTXS-HEXYLGLUTATHIONEA,B1VF20.71
GTXS-HEXYLGLUTATHIONEA1M9A0.71
GTXS-HEXYLGLUTATHIONEA,B17GS0.71
GTXS-HEXYLGLUTATHIONEA,B1K0A0.71
GTXS-HEXYLGLUTATHIONEA,B2R3X0.71
GTXS-HEXYLGLUTATHIONEA,B1GSU0.71
GTXS-HEXYLGLUTATHIONEA,B2C800.71
GTXS-HEXYLGLUTATHIONEA,B2R6K0.71
GTXS-HEXYLGLUTATHIONEA,B1PGT0.71
GTXS-HEXYLGLUTATHIONEA,B2J9H0.71
GTXS-HEXYLGLUTATHIONEA,B1K3L0.71
GTXS-HEXYLGLUTATHIONEA,B1GNW0.71
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.71
GTXS-HEXYLGLUTATHIONEA,B1YDK0.71
GTXS-HEXYLGLUTATHIONEA,B9GSS0.71
SCYS-ACETYL-CYSTEINEA,B,C,D1XPK0.75
SCYS-ACETYL-CYSTEINEA,B,C,D1XPL0.75
SCYS-ACETYL-CYSTEINEA,B2P8U0.75
SCYS-ACETYL-CYSTEINEA2FA30.75
SCYS-ACETYL-CYSTEINEA,B,C,D2F2S0.75
SCYS-ACETYL-CYSTEINEA1MJA0.75
SCYS-ACETYL-CYSTEINEA1HNH0.75
SCYS-ACETYL-CYSTEINEA,B,C,D1XPM0.75
SCYS-ACETYL-CYSTEINEA,B,C,D1DM30.75
SCYS-ACETYL-CYSTEINEA,B,C,D1QFL0.75
SCYS-ACETYL-CYSTEINEA,B,C,D1NL70.75
SCYS-ACETYL-CYSTEINEA2BV50.75
SCYS-ACETYL-CYSTEINEA,B,C,D1M4S0.75
CYKN-hexanoyl-L-homocysteineA3DHC0.73
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A3H7K0.7
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A,B,C,D,E,F,
G,H
2JER0.7
CSAS-ACETONYLCYSTEINEA,B1DWQ0.72
MT2[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfoniumA3C8F0.71
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.85
AMEN-ACETYLMETHIONINEA,B2J4Y0.85
ESC2-AMINO-4-ETHYL SULFANYL BUTYRIC ACIDH,P1KBG0.72
SHCS-HEXYLCYSTEINEI,J1GSS0.73
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
I1BZH0.73
AEA(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETIC ACID
A,B,C,D1MHH0.73
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D1L0Q0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCR0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8Q0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL10.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,I2O400.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0Z0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1TQ90.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEL2R0W0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B1PX50.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L1TJG0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L3EYU0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N3Z0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8S0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,Q3EYS0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA3ESW0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,C,D3BCP0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FKZ0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL30.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJI0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8P0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B2A8R0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B3FL00.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA1N1X0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEH,L,P1TJH0.78
YCMS-(2-AMINO-2-OXOETHYL)-L-CYSTEINEA,B,I3DCK0.78
2MT(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-
4-CARBOXYLIC ACID
A1SBU0.79
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.71
FMEN-FORMYLMETHIONINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.8
FMEN-FORMYLMETHIONINEA1DZA0.8
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.8
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.8
FMEN-FORMYLMETHIONINEC,H,L,M3PRC0.8
FMEN-FORMYLMETHIONINEC,H,L,M2PRC0.8
FMEN-FORMYLMETHIONINEC,H,L,M1R2C0.8
FMEN-FORMYLMETHIONINEA2W9N0.8
FMEN-FORMYLMETHIONINEA,B,D,E,G,H1KZU0.8
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.8
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.8
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.8
FMEN-FORMYLMETHIONINEC,H,L,M5PRC0.8
FMEN-FORMYLMETHIONINEA1BQ90.8
FMEN-FORMYLMETHIONINEA2BFR0.8
FMEN-FORMYLMETHIONINEC,D,F1MHC0.8
FMEN-FORMYLMETHIONINEA,B,C1Y4Z0.8
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.8
FMEN-FORMYLMETHIONINEA,B1QX20.8
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,G1TG60.8
FMEN-FORMYLMETHIONINEA,B,C1Y5N0.8
FMEN-FORMYLMETHIONINEC,H,L,M2I5N0.8
FMEN-FORMYLMETHIONINEA2BFQ0.8
FMEN-FORMYLMETHIONINEA2KAM0.8
FMEN-FORMYLMETHIONINEA,B,C1SIW0.8
FMEN-FORMYLMETHIONINEC,D,I,L1LK60.8
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.8
FMEN-FORMYLMETHIONINEA1RB90.8
FMEN-FORMYLMETHIONINEC,H,L,M,U1DXR0.8
FMEN-FORMYLMETHIONINEA,B,C,D1DCE0.8
FMEN-FORMYLMETHIONINEC,H,L,M1PRC0.8
FMEN-FORMYLMETHIONINEA,B,C1Y5L0.8
FMEN-FORMYLMETHIONINEA,B,X,Y2G5L0.8
FMEN-FORMYLMETHIONINEA,B,C1Q160.8
FMEN-FORMYLMETHIONINEC,H,L,M2JBL0.8
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,H
2H610.8
FMEN-FORMYLMETHIONINEC,H,L,M6PRC0.8
FMEN-FORMYLMETHIONINEC,H,L,M3D380.8
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.8
FMEN-FORMYLMETHIONINEC,D2FMT0.8
FMEN-FORMYLMETHIONINEA1Q7O0.8
FMEN-FORMYLMETHIONINEA,B3D0Y0.8
FMEN-FORMYLMETHIONINEA,B,C,D1V4G0.8
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.8
FMEN-FORMYLMETHIONINEC,H,L,M7PRC0.8
FMEN-FORMYLMETHIONINEA,B,C,D,E,F1IJD0.8
FMEN-FORMYLMETHIONINEC,H,L,M1VRN0.8
FMEN-FORMYLMETHIONINEA,B,C1Y5I0.8
SLZL-THIALYSINEA,B,D,E,F2O6V0.75
SLZL-THIALYSINEA,B,D2J9K0.75
SLZL-THIALYSINEL1BM20.75
SLZL-THIALYSINEX3DIG0.75
SLZL-THIALYSINEA,B,C2J9J0.75
0A8S-[(2-chloroethyl)carbamoyl]-L-
cysteine
A1GRG0.74
CCSCARBOXYMETHYLATED CYSTEINEE1STF0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D,E,F1GTI0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B2BJ40.72
CCSCARBOXYMETHYLATED CYSTEINEA,B2JFA0.72
CCSCARBOXYMETHYLATED CYSTEINEG,R1DSS0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B1L2I0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B,C,D3DMT0.72
CCSCARBOXYMETHYLATED CYSTEINEA,B1ERR0.72
CCSCARBOXYMETHYLATED CYSTEINEA2JX40.72
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA2K3Y0.77
M2L(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acidA,E3C1C0.77
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.8
EPMN-PALMITOYL-L-METHIONINEA,B1ZO90.73
CXMN-CARBOXYMETHIONINEA,B1DNA0.8
CXMN-CARBOXYMETHIONINEA,B1JTU0.8
CXMN-CARBOXYMETHIONINEA,B1F4F0.8
CXMN-CARBOXYMETHIONINEA,B3BHL0.8
CXMN-CARBOXYMETHIONINEA,B2G8M0.8
CXMN-CARBOXYMETHIONINEA,C1S3T0.8
CXMN-CARBOXYMETHIONINEA2FTN0.8
CXMN-CARBOXYMETHIONINEA1AJM0.8
CXMN-CARBOXYMETHIONINEA1EV80.8
CXMN-CARBOXYMETHIONINEA,B2G8O0.8
CXMN-CARBOXYMETHIONINEA1EV50.8
CXMN-CARBOXYMETHIONINEA,B1JG00.8
CXMN-CARBOXYMETHIONINEA1FFL0.8
CXMN-CARBOXYMETHIONINEA1BJG0.8
CXMN-CARBOXYMETHIONINEA,B1TLS0.8
CXMN-CARBOXYMETHIONINEA,B1KCE0.8
CXMN-CARBOXYMETHIONINEA,B1NCE0.8
CXMN-CARBOXYMETHIONINEA1TSN0.8
CXMN-CARBOXYMETHIONINEA1F4B0.8
CXMN-CARBOXYMETHIONINEA,B1F4G0.8
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1KZJ0.8
CXMN-CARBOXYMETHIONINEA3B9H0.8
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1NKZ0.8
CXMN-CARBOXYMETHIONINEA3BHR0.8
CXMN-CARBOXYMETHIONINEA,B1KZI0.8
CXMN-CARBOXYMETHIONINEA1EVG0.8
CXMN-CARBOXYMETHIONINEA,B1F4C0.8
CXMN-CARBOXYMETHIONINEA,B1FWM0.8
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,R,S
2FKW0.8
CXMN-CARBOXYMETHIONINEA1EVF0.8
CXMN-CARBOXYMETHIONINEA,B1F4D0.8
CXMN-CARBOXYMETHIONINEA,B1JUT0.8
CXMN-CARBOXYMETHIONINEA,B,C,D2A9W0.8
CXMN-CARBOXYMETHIONINEX2FTO0.8
CXMN-CARBOXYMETHIONINEA,B1AIQ0.8
CXMN-CARBOXYMETHIONINEA1QQQ0.8
CXMN-CARBOXYMETHIONINEA,B1JTQ0.8
CXMN-CARBOXYMETHIONINEA,B1BQ10.8
CXMN-CARBOXYMETHIONINEA,C1UBP0.8
CXMN-CARBOXYMETHIONINEA3BFI0.8
CXMN-CARBOXYMETHIONINEA,B2G8X0.8
CXMN-CARBOXYMETHIONINEA,B2VF00.8
CXMN-CARBOXYMETHIONINEA,B1ZPR0.8
CXMN-CARBOXYMETHIONINEA3BGX0.8
CXMN-CARBOXYMETHIONINEA1TYS0.8
CXMN-CARBOXYMETHIONINEA2FTQ0.8
CXMN-CARBOXYMETHIONINEA1F4E0.8
CXMN-CARBOXYMETHIONINEA,C1IE70.8
CY1ACETAMIDOMETHYLCYSTEINEA,D1D5M0.83
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.73
SMCS-METHYLCYSTEINEA1U8B0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.73
SMCS-METHYLCYSTEINEA1FQ40.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBO0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.73
SMCS-METHYLCYSTEINEI1E820.73
SMCS-METHYLCYSTEINEI1E810.73
SMCS-METHYLCYSTEINEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.73
SMCS-METHYLCYSTEINEA1LFO0.73
SMCS-METHYLCYSTEINEA,B,D,E,H,K,
O,R,V
1UWA0.73
SMCS-METHYLCYSTEINEA,C,D,F1MRO0.73
SMCS-METHYLCYSTEINE1,2,3,4,5,6,
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
1IR20.73
SMCS-METHYLCYSTEINEA1ZGW0.73
SMCS-METHYLCYSTEINEE,I1EPN0.73
SMCS-METHYLCYSTEINEA,B,C2OB20.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.73
SMCS-METHYLCYSTEINEP1CZI0.73
SMCS-METHYLCYSTEINEA,C,D,F1E6Y0.73
SMCS-METHYLCYSTEINEA,I1GVT0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBM0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.73
SMCS-METHYLCYSTEINEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.73
SMCS-METHYLCYSTEINEA1EH70.73
SMCS-METHYLCYSTEINEA,C,E,G,I,K,
M,O
1GK80.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.73
SMCS-METHYLCYSTEINEA1WPK0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBN0.73
SMCS-METHYLCYSTEINEA,B,C,D,E,F1HBU0.73
NCYN-METHYLCYSTEINEA,C,E,G2ADW0.75
NCYN-METHYLCYSTEINEA1VS20.75
NCYN-METHYLCYSTEINEA1PFE0.75
NCYN-METHYLCYSTEINEA,B2DA80.75
NCYN-METHYLCYSTEINEC,D193D0.75
NCYN-METHYLCYSTEINEA1XVN0.75
NCYN-METHYLCYSTEINEA,B185D0.75
NCYN-METHYLCYSTEINEA1XVK0.75
NCYN-METHYLCYSTEINEA,C1XVR0.75
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.71
CY4S-BUTYRYL-CYSTEINA,B,C,D1M4T0.73
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.83
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.83
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.83
N2CN,S-DIMETHYLCYSTEINEA1XVK0.81
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.81
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.81
PRSTHIOPROLINEA1SAV0.73
ML32-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-
N,N,N-trimethylethanaminium
F3C1B0.79
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.79
MEDD-METHIONINEA1Y9Q0.7
MEDD-METHIONINEA,B2Q330.7
MEDD-METHIONINEA1ZUE0.7
MEDD-METHIONINEA1KQ00.7
MEDD-METHIONINEA,B3GP40.7
MEDD-METHIONINEA1TKJ0.7
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.82
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1HQ50.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C3E9B0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1P8R0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVA0.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B,C,D,E,F1PQ30.72
S2CS-2-(BORONOETHYL)-L-CYSTEINEA,B1WVB0.72
GT9S-NONYL-CYSTEINEA,B,C,D12GS0.7
AYAN-ACETYLALANINEA1D0W0.76
AYAN-ACETYLALANINEA1AH40.76
AYAN-ACETYLALANINEA,B1VBP0.76
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.76
AYAN-ACETYLALANINEA,B,C,D1OUW0.76
AYAN-ACETYLALANINEA1AH30.76
AYAN-ACETYLALANINEA1EKO0.76
AYAN-ACETYLALANINEB,D,F,H2V4I0.76
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.76
AYAN-ACETYLALANINEA,B,C,D1J4U0.76
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.71