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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00485405

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.74
NMGGUANIDINO ACETATEA1XCJ0.74
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.75
NCYN-METHYLCYSTEINEA,C,E,G2ADW0.82
NCYN-METHYLCYSTEINEA1VS20.82
NCYN-METHYLCYSTEINEA1PFE0.82
NCYN-METHYLCYSTEINEA,B2DA80.82
NCYN-METHYLCYSTEINEC,D193D0.82
NCYN-METHYLCYSTEINEA1XVN0.82
NCYN-METHYLCYSTEINEA,B185D0.82
NCYN-METHYLCYSTEINEA1XVK0.82
NCYN-METHYLCYSTEINEA,C1XVR0.82
MMEN-METHYL METHIONINEA,C,E,G,I,K,
M,O
1GK80.72
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.72
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.72
MMEN-METHYL METHIONINEA,E,S,W1WDD0.72
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.72
MMEN-METHYL METHIONINEA,B,C,D,S,T,
U,V
1IR10.72
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.72
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
1IR20.72
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.72
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.72
MMEN-METHYL METHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.72
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3G2F0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1FU10.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM20.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2CJW0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2JBH0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1JQ60.71
CASS-(DIMETHYLARSENIC)CYSTEINEB2HZE0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM30.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2H790.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILZ0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM10.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA60.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1TQL0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2RA80.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1I830.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3E7S0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZS0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2ILY0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2IM00.71
CASS-(DIMETHYLARSENIC)CYSTEINEX3GWS0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2W9J0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B1ZZT0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA2H770.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYX0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B2HMH0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1BHL0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B,C1FF30.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1R4X0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1S6C0.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1RA70.71
CASS-(DIMETHYLARSENIC)CYSTEINEA,B3ET60.71
CASS-(DIMETHYLARSENIC)CYSTEINEA1FYW0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B2DYB0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYV0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA,B,C,D2C7V0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1SNG0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA2IWR0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA2FAU0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA1HYZ0.71
CAFS-DIMETHYLARSINOYL-CYSTEINEA3F7D0.71
CRNN-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINEA,B3B6R0.71
CRNN-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINEA,B,C,D,E,F1V7Z0.71
DCYD-CYSTEINEA,D2Q3I0.7
DCYD-CYSTEINEA,B2AOU0.7
DCYD-CYSTEINEA,B,E,F1PCG0.7
DCYD-CYSTEINEA,B,C,D2R3C0.7
DCYD-CYSTEINEA,B,C,H,K,L2R5D0.7
DCYD-CYSTEINEA1C4B0.7
DCYD-CYSTEINEA,B,C,D3BOG0.7
DCYD-CYSTEINEA,D1CZQ0.7
DCYD-CYSTEINEA,B,C,D3FIE0.7
DCYD-CYSTEINEA,B2Q330.7
DCYD-CYSTEINEA,B,C,H,K,L2R5B0.7
DCYD-CYSTEINEA1XBH0.7
DCYD-CYSTEINEA2JUE0.7
DCYD-CYSTEINEA1F570.7
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
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A3H7K0.73
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A,B,C,D,E,F,
G,H
2JER0.73
DIR3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINEA,B,C1T4T0.73
GEM(2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACIDA,B,C3D670.73
GEM(2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACIDA1H8L0.73
PRSTHIOPROLINEA1SAV0.7
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB20.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOU0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOS0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNS0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOV0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB30.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA,B,C,D1WB10.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNG0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNO0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2NNV0.71
CMHS-(METHYLMERCURY)-L-CYSTEINEA2FOQ0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BQ50.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1Q8A0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B2CI50.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1Q8J0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BOF0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1U220.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1JQW0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA1JVI0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B1XDJ0.71
HCS2-AMINO-4-MERCAPTO-BUTYRIC ACIDA,B3BOL0.71
NNHNOR-N-OMEGA-HYDROXY-L-ARGININEA,B,C1HQH0.72
N2CN,S-DIMETHYLCYSTEINEA1XVK0.76
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.76
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.76
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