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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03813301

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPGN-ISOPROPYL GLYCINEC,D2SEM0.76
AYAN-ACETYLALANINEA1D0W0.84
AYAN-ACETYLALANINEA1AH40.84
AYAN-ACETYLALANINEA,B1VBP0.84
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.84
AYAN-ACETYLALANINEA,B,C,D1OUW0.84
AYAN-ACETYLALANINEA1AH30.84
AYAN-ACETYLALANINEA1EKO0.84
AYAN-ACETYLALANINEB,D,F,H2V4I0.84
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.84
AYAN-ACETYLALANINEA,B,C,D1J4U0.84
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.77
THCN-METHYLCARBONYLTHREONINEB2HR00.77
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.77
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.77
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.72
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
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.84
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.84
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.84
SACN-ACETYL-SERINEA1R4U0.84
SACN-ACETYL-SERINEA,B,C,D1WS30.84
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.84
SACN-ACETYL-SERINEA,B1EVU0.84
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.84
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.84
SACN-ACETYL-SERINEA1WRR0.84
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.84
SACN-ACETYL-SERINEA,B3CVQ0.84
SACN-ACETYL-SERINEA1B0B0.84
SACN-ACETYL-SERINEA1XT40.84
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.84
SACN-ACETYL-SERINEA2FXL0.84
SACN-ACETYL-SERINEA1R4S0.84
SACN-ACETYL-SERINEA,B,C,D1WS20.84
SACN-ACETYL-SERINEA,B,C,D2AUC0.84
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.84
SACN-ACETYL-SERINEA1R510.84
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.84
SACN-ACETYL-SERINEA,B,C,D1XXJ0.84
SACN-ACETYL-SERINET2QAC0.84
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.84
CXMN-CARBOXYMETHIONINEA,B1DNA0.75
CXMN-CARBOXYMETHIONINEA,B1JTU0.75
CXMN-CARBOXYMETHIONINEA,B1F4F0.75
CXMN-CARBOXYMETHIONINEA,B3BHL0.75
CXMN-CARBOXYMETHIONINEA,B2G8M0.75
CXMN-CARBOXYMETHIONINEA,C1S3T0.75
CXMN-CARBOXYMETHIONINEA2FTN0.75
CXMN-CARBOXYMETHIONINEA1AJM0.75
CXMN-CARBOXYMETHIONINEA1EV80.75
CXMN-CARBOXYMETHIONINEA,B2G8O0.75
CXMN-CARBOXYMETHIONINEA1EV50.75
CXMN-CARBOXYMETHIONINEA,B1JG00.75
CXMN-CARBOXYMETHIONINEA1FFL0.75
CXMN-CARBOXYMETHIONINEA1BJG0.75
CXMN-CARBOXYMETHIONINEA,B1TLS0.75
CXMN-CARBOXYMETHIONINEA,B1KCE0.75
CXMN-CARBOXYMETHIONINEA,B1NCE0.75
CXMN-CARBOXYMETHIONINEA1TSN0.75
CXMN-CARBOXYMETHIONINEA1F4B0.75
CXMN-CARBOXYMETHIONINEA,B1F4G0.75
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1KZJ0.75
CXMN-CARBOXYMETHIONINEA3B9H0.75
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1NKZ0.75
CXMN-CARBOXYMETHIONINEA3BHR0.75
CXMN-CARBOXYMETHIONINEA,B1KZI0.75
CXMN-CARBOXYMETHIONINEA1EVG0.75
CXMN-CARBOXYMETHIONINEA,B1F4C0.75
CXMN-CARBOXYMETHIONINEA,B1FWM0.75
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,R,S
2FKW0.75
CXMN-CARBOXYMETHIONINEA1EVF0.75
CXMN-CARBOXYMETHIONINEA,B1F4D0.75
CXMN-CARBOXYMETHIONINEA,B1JUT0.75
CXMN-CARBOXYMETHIONINEA,B,C,D2A9W0.75
CXMN-CARBOXYMETHIONINEX2FTO0.75
CXMN-CARBOXYMETHIONINEA,B1AIQ0.75
CXMN-CARBOXYMETHIONINEA1QQQ0.75
CXMN-CARBOXYMETHIONINEA,B1JTQ0.75
CXMN-CARBOXYMETHIONINEA,B1BQ10.75
CXMN-CARBOXYMETHIONINEA,C1UBP0.75
CXMN-CARBOXYMETHIONINEA3BFI0.75
CXMN-CARBOXYMETHIONINEA,B2G8X0.75
CXMN-CARBOXYMETHIONINEA,B2VF00.75
CXMN-CARBOXYMETHIONINEA,B1ZPR0.75
CXMN-CARBOXYMETHIONINEA3BGX0.75
CXMN-CARBOXYMETHIONINEA1TYS0.75
CXMN-CARBOXYMETHIONINEA2FTQ0.75
CXMN-CARBOXYMETHIONINEA1F4E0.75
CXMN-CARBOXYMETHIONINEA,C1IE70.75
N2CN,S-DIMETHYLCYSTEINEA1XVK0.7
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.7
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.7
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.7
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.7
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.7
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.74
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.75
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.75
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.75
FMEN-FORMYLMETHIONINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.72
FMEN-FORMYLMETHIONINEA1DZA0.72
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.72
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.72
FMEN-FORMYLMETHIONINEC,H,L,M3PRC0.72
FMEN-FORMYLMETHIONINEC,H,L,M2PRC0.72
FMEN-FORMYLMETHIONINEC,H,L,M1R2C0.72
FMEN-FORMYLMETHIONINEA2W9N0.72
FMEN-FORMYLMETHIONINEA,B,D,E,G,H1KZU0.72
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.72
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.72
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.72
FMEN-FORMYLMETHIONINEC,H,L,M5PRC0.72
FMEN-FORMYLMETHIONINEA1BQ90.72
FMEN-FORMYLMETHIONINEA2BFR0.72
FMEN-FORMYLMETHIONINEC,D,F1MHC0.72
FMEN-FORMYLMETHIONINEA,B,C1Y4Z0.72
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.72
FMEN-FORMYLMETHIONINEA,B1QX20.72
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,G1TG60.72
FMEN-FORMYLMETHIONINEA,B,C1Y5N0.72
FMEN-FORMYLMETHIONINEC,H,L,M2I5N0.72
FMEN-FORMYLMETHIONINEA2BFQ0.72
FMEN-FORMYLMETHIONINEA2KAM0.72
FMEN-FORMYLMETHIONINEA,B,C1SIW0.72
FMEN-FORMYLMETHIONINEC,D,I,L1LK60.72
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.72
FMEN-FORMYLMETHIONINEA1RB90.72
FMEN-FORMYLMETHIONINEC,H,L,M,U1DXR0.72
FMEN-FORMYLMETHIONINEA,B,C,D1DCE0.72
FMEN-FORMYLMETHIONINEC,H,L,M1PRC0.72
FMEN-FORMYLMETHIONINEA,B,C1Y5L0.72
FMEN-FORMYLMETHIONINEA,B,X,Y2G5L0.72
FMEN-FORMYLMETHIONINEA,B,C1Q160.72
FMEN-FORMYLMETHIONINEC,H,L,M2JBL0.72
FMEN-FORMYLMETHIONINEA,B,C,D,E,F,
G,H
2H610.72
FMEN-FORMYLMETHIONINEC,H,L,M6PRC0.72
FMEN-FORMYLMETHIONINEC,H,L,M3D380.72
FMEN-FORMYLMETHIONINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.72
FMEN-FORMYLMETHIONINEC,D2FMT0.72
FMEN-FORMYLMETHIONINEA1Q7O0.72
FMEN-FORMYLMETHIONINEA,B3D0Y0.72
FMEN-FORMYLMETHIONINEA,B,C,D1V4G0.72
FMEN-FORMYLMETHIONINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.72
FMEN-FORMYLMETHIONINEC,H,L,M7PRC0.72
FMEN-FORMYLMETHIONINEA,B,C,D,E,F1IJD0.72
FMEN-FORMYLMETHIONINEC,H,L,M1VRN0.72
FMEN-FORMYLMETHIONINEA,B,C1Y5I0.72
MAAN-METHYLALANINEA,B1A7Z0.82
MAAN-METHYLALANINEA,B2VSL0.82
MAAN-METHYLALANINEC1CWI0.82
MAAN-METHYLALANINEC,F,G,H3DW80.82
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.82
MAAN-METHYLALANINED1D5X0.82
MAAN-METHYLALANINEC1PYW0.82
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.82
MAAN-METHYLALANINEC,I2IE30.82
MAAN-METHYLALANINEC,F,X,Y2NPP0.82
DSEN-METHYL-D-SERINEC1CWH0.79
OASO-ACETYLSERINEA,B,C,D,E,F,
G,H,I,J,K,L
2VAV0.72
OASO-ACETYLSERINEA2C580.72
OASO-ACETYLSERINEA1EBV0.72
OASO-ACETYLSERINEA,B,C,D,E,F,
G,H,I,J,K,L
2VAX0.72
CL5N-(3-OXOPROPYL)GLYCINEA2IOT0.7
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.74
AN0N-ACETYL-L-NORVALINEA1ZQ80.74
LALN,N-DIMETHYL-L-ALANINEA,B1R1G0.7
NCYN-METHYLCYSTEINEA,C,E,G2ADW0.73
NCYN-METHYLCYSTEINEA1VS20.73
NCYN-METHYLCYSTEINEA1PFE0.73
NCYN-METHYLCYSTEINEA,B2DA80.73
NCYN-METHYLCYSTEINEC,D193D0.73
NCYN-METHYLCYSTEINEA1XVN0.73
NCYN-METHYLCYSTEINEA,B185D0.73
NCYN-METHYLCYSTEINEA1XVK0.73
NCYN-METHYLCYSTEINEA,C1XVR0.73
AACACETYLAMINO-ACETIC ACIDA,B1NG30.73
AACACETYLAMINO-ACETIC ACIDA1QD80.73
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.73
N10O-[(HEXYLAMINO)CARBONYL]-L-SERINEA,B,C,D,E,F,
G,H
2Q0S0.77
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.81
NXAN-CARBOXYALANINEA2IUX0.9
NXAN-CARBOXYALANINEA1O8A0.9
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.79