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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03032719

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.75
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.8
AN0N-ACETYL-L-NORVALINEA1ZQ80.8
P3P(2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J
2D3C0.78
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.8
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.7
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.7
PAON-(PHOSPHONOACETYL)-L-ORNITHINEA,B,C,D,E,F,
G,H,I
2OTC0.82
PAON-(PHOSPHONOACETYL)-L-ORNITHINEA1OTH0.82
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.77
THCN-METHYLCARBONYLTHREONINEB2HR00.77
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.77
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.77
GGAD-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-
AMINOBUTYL)AMINO]BUTYL}(PHOSPHONOOXY)PHOSPHORYL]METHYL}-
D-ALANINAMIDE
A,B2IOA0.71
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.74
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.74
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.74
SACN-ACETYL-SERINEA1R4U0.74
SACN-ACETYL-SERINEA,B,C,D1WS30.74
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.74
SACN-ACETYL-SERINEA,B1EVU0.74
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.74
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.74
SACN-ACETYL-SERINEA1WRR0.74
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.74
SACN-ACETYL-SERINEA,B3CVQ0.74
SACN-ACETYL-SERINEA1B0B0.74
SACN-ACETYL-SERINEA1XT40.74
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.74
SACN-ACETYL-SERINEA2FXL0.74
SACN-ACETYL-SERINEA1R4S0.74
SACN-ACETYL-SERINEA,B,C,D1WS20.74
SACN-ACETYL-SERINEA,B,C,D2AUC0.74
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.74
SACN-ACETYL-SERINEA1R510.74
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.74
SACN-ACETYL-SERINEA,B,C,D1XXJ0.74
SACN-ACETYL-SERINET2QAC0.74
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.74
MVAN-METHYLVALINEA209D0.73
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.73
MVAN-METHYLVALINEC1CWH0.73
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.73
MVAN-METHYLVALINEA1DSD0.73
MVAN-METHYLVALINEB1L1V0.73
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.73
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.73
MVAN-METHYLVALINEC1CWO0.73
MVAN-METHYLVALINEC1CWL0.73
MVAN-METHYLVALINEB1MIK0.73
MVAN-METHYLVALINEA1CSA0.73
MVAN-METHYLVALINEC1CWM0.73
MVAN-METHYLVALINEA1PFE0.73
MVAN-METHYLVALINEA,B,D,E,F,H1M630.73
MVAN-METHYLVALINEC1CWC0.73
MVAN-METHYLVALINEB,D,F,H2RMC0.73
MVAN-METHYLVALINEC1CWK0.73
MVAN-METHYLVALINEC1CYN0.73
MVAN-METHYLVALINEC,D1MNV0.73
MVAN-METHYLVALINEC,D2OJU0.73
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.73
MVAN-METHYLVALINEA1CYB0.73
MVAN-METHYLVALINED1QNG0.73
MVAN-METHYLVALINEA,C,E,G2ADW0.73
MVAN-METHYLVALINEC1CWB0.73
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.73
MVAN-METHYLVALINEA,B1OVF0.73
MVAN-METHYLVALINEA,B185D0.73
MVAN-METHYLVALINEA1XVK0.73
MVAN-METHYLVALINEA,C1XVR0.73
MVAN-METHYLVALINEA,B173D0.73
MVAN-METHYLVALINEA,B1FJA0.73
MVAN-METHYLVALINEB3CYS0.73
MVAN-METHYLVALINEA,B,C1A7Y0.73
MVAN-METHYLVALINEA,B,C1L5G0.73
MVAN-METHYLVALINEA,B,C,D1I3W0.73
MVAN-METHYLVALINEA316D0.73
MVAN-METHYLVALINEA1XVN0.73
MVAN-METHYLVALINEC1IKF0.73
MVAN-METHYLVALINEA,M,N2Z6W0.73
MVAN-METHYLVALINEA,B,C1QFI0.73
MVAN-METHYLVALINEA,B3GO30.73
MVAN-METHYLVALINEC1CWA0.73
MVAN-METHYLVALINEC1CWF0.73
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.73
MVAN-METHYLVALINED,E,F1XQ70.73
MVAN-METHYLVALINEA1CYA0.73
MVAN-METHYLVALINEA,B,D1MF80.73
MVAN-METHYLVALINEA,B1A7Z0.73
MVAN-METHYLVALINEA1DSC0.73
MVAN-METHYLVALINET,U,V2POY0.73
MVAN-METHYLVALINEA2D550.73
MVAN-METHYLVALINEC1BCK0.73
MVAN-METHYLVALINEC1CWI0.73
MVAN-METHYLVALINEC,D1QNH0.73
MVAN-METHYLVALINEA1VS20.73
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.72
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.86
AS9N-[HYDROXY(METHYL)PHOSPHORYL]-L-
ASPARTIC ACID
A,B2O4H0.71
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.73
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.75
AMEN-ACETYLMETHIONINEA,B2J4Y0.75
CXMN-CARBOXYMETHIONINEA,B1DNA0.72
CXMN-CARBOXYMETHIONINEA,B1JTU0.72
CXMN-CARBOXYMETHIONINEA,B1F4F0.72
CXMN-CARBOXYMETHIONINEA,B3BHL0.72
CXMN-CARBOXYMETHIONINEA,B2G8M0.72
CXMN-CARBOXYMETHIONINEA,C1S3T0.72
CXMN-CARBOXYMETHIONINEA2FTN0.72
CXMN-CARBOXYMETHIONINEA1AJM0.72
CXMN-CARBOXYMETHIONINEA1EV80.72
CXMN-CARBOXYMETHIONINEA,B2G8O0.72
CXMN-CARBOXYMETHIONINEA1EV50.72
CXMN-CARBOXYMETHIONINEA,B1JG00.72
CXMN-CARBOXYMETHIONINEA1FFL0.72
CXMN-CARBOXYMETHIONINEA1BJG0.72
CXMN-CARBOXYMETHIONINEA,B1TLS0.72
CXMN-CARBOXYMETHIONINEA,B1KCE0.72
CXMN-CARBOXYMETHIONINEA,B1NCE0.72
CXMN-CARBOXYMETHIONINEA1TSN0.72
CXMN-CARBOXYMETHIONINEA1F4B0.72
CXMN-CARBOXYMETHIONINEA,B1F4G0.72
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1KZJ0.72
CXMN-CARBOXYMETHIONINEA3B9H0.72
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1NKZ0.72
CXMN-CARBOXYMETHIONINEA3BHR0.72
CXMN-CARBOXYMETHIONINEA,B1KZI0.72
CXMN-CARBOXYMETHIONINEA1EVG0.72
CXMN-CARBOXYMETHIONINEA,B1F4C0.72
CXMN-CARBOXYMETHIONINEA,B1FWM0.72
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,R,S
2FKW0.72
CXMN-CARBOXYMETHIONINEA1EVF0.72
CXMN-CARBOXYMETHIONINEA,B1F4D0.72
CXMN-CARBOXYMETHIONINEA,B1JUT0.72
CXMN-CARBOXYMETHIONINEA,B,C,D2A9W0.72
CXMN-CARBOXYMETHIONINEX2FTO0.72
CXMN-CARBOXYMETHIONINEA,B1AIQ0.72
CXMN-CARBOXYMETHIONINEA1QQQ0.72
CXMN-CARBOXYMETHIONINEA,B1JTQ0.72
CXMN-CARBOXYMETHIONINEA,B1BQ10.72
CXMN-CARBOXYMETHIONINEA,C1UBP0.72
CXMN-CARBOXYMETHIONINEA3BFI0.72
CXMN-CARBOXYMETHIONINEA,B2G8X0.72
CXMN-CARBOXYMETHIONINEA,B2VF00.72
CXMN-CARBOXYMETHIONINEA,B1ZPR0.72
CXMN-CARBOXYMETHIONINEA3BGX0.72
CXMN-CARBOXYMETHIONINEA1TYS0.72
CXMN-CARBOXYMETHIONINEA2FTQ0.72
CXMN-CARBOXYMETHIONINEA1F4E0.72
CXMN-CARBOXYMETHIONINEA,C1IE70.72
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.74
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C1EKX0.89
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q950.89
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1TTH0.89
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1ACM0.89
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1D090.89
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1XJW0.89
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA1ML40.89
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDB,D1I5O0.89
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1F1B0.89
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D8ATC0.89
NXAN-CARBOXYALANINEA2IUX0.75
NXAN-CARBOXYALANINEA1O8A0.75
NLGN-ACETYL-L-GLUTAMATEA1OH90.75
NLGN-ACETYL-L-GLUTAMATEA1OHA0.75
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.75
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.75
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.75
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.75
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.75
NLGN-ACETYL-L-GLUTAMATEA3B8G0.75
NLGN-ACETYL-L-GLUTAMATEA1GS50.75
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.75
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.73
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.73
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.73
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.7
APOD-2-AMINO-3-PHOSPHONO-PROPIONIC ACIDA,B1L8L0.73
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.73
C6LN-hexanoyl-L-homoserineA3DHA0.7
C6LN-hexanoyl-L-homoserineA3DHB0.7
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.71
RE1GLYCYL-L-A-AMINOPIMELYL-E-(D-2-
AMINOETHYL)PHOSPHONATE
A1MPL0.75
AYAN-ACETYLALANINEA1D0W0.8
AYAN-ACETYLALANINEA1AH40.8
AYAN-ACETYLALANINEA,B1VBP0.8
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.8
AYAN-ACETYLALANINEA,B,C,D1OUW0.8
AYAN-ACETYLALANINEA1AH30.8
AYAN-ACETYLALANINEA1EKO0.8
AYAN-ACETYLALANINEB,D,F,H2V4I0.8
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.8
AYAN-ACETYLALANINEA,B,C,D1J4U0.8
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.71
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.71
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.71
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.71
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.71
PPQPHOSPHINOTHRICINA,B,C,D,E,F,
G,H,I,J,K,L
1FPY0.79
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.75
MAAN-METHYLALANINEA,B1A7Z0.71
MAAN-METHYLALANINEA,B2VSL0.71
MAAN-METHYLALANINEC1CWI0.71
MAAN-METHYLALANINEC,F,G,H3DW80.71
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.71
MAAN-METHYLALANINED1D5X0.71
MAAN-METHYLALANINEC1PYW0.71
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.71
MAAN-METHYLALANINEC,I2IE30.71
MAAN-METHYLALANINEC,F,X,Y2NPP0.71