Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00321977
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
PEC | S,S-PENTYLTHIOCYSTEINE | A | 5NUC | 0.7 | |
OCY | HYDROXYETHYLCYSTEINE | A | 1VSH | 0.74 | |
OCY | HYDROXYETHYLCYSTEINE | A | 3FV8 | 0.74 | |
OCY | HYDROXYETHYLCYSTEINE | A | 3FI3 | 0.74 | |
OCY | HYDROXYETHYLCYSTEINE | A,B | 2R9S | 0.74 | |
OCY | HYDROXYETHYLCYSTEINE | A | 1VSI | 0.74 | |
OCY | HYDROXYETHYLCYSTEINE | A | 1VSJ | 0.74 | |
OCY | HYDROXYETHYLCYSTEINE | A | 1VSD | 0.74 | |
OCY | HYDROXYETHYLCYSTEINE | A | 3FI2 | 0.74 | |
ESC | 2-AMINO-4-ETHYL SULFANYL BUTYRIC ACID | H,P | 1KBG | 0.74 | |
SHC | S-HEXYLCYSTEINE | I,J | 1GSS | 0.77 | |
SCY | S-ACETYL-CYSTEINE | A,B,C,D | 1XPK | 0.73 | |
SCY | S-ACETYL-CYSTEINE | A,B,C,D | 1XPL | 0.73 | |
SCY | S-ACETYL-CYSTEINE | A,B | 2P8U | 0.73 | |
SCY | S-ACETYL-CYSTEINE | A | 2FA3 | 0.73 | |
SCY | S-ACETYL-CYSTEINE | A,B,C,D | 2F2S | 0.73 | |
SCY | S-ACETYL-CYSTEINE | A | 1MJA | 0.73 | |
SCY | S-ACETYL-CYSTEINE | A | 1HNH | 0.73 | |
SCY | S-ACETYL-CYSTEINE | A,B,C,D | 1XPM | 0.73 | |
SCY | S-ACETYL-CYSTEINE | A,B,C,D | 1DM3 | 0.73 | |
SCY | S-ACETYL-CYSTEINE | A,B,C,D | 1QFL | 0.73 | |
SCY | S-ACETYL-CYSTEINE | A,B,C,D | 1NL7 | 0.73 | |
SCY | S-ACETYL-CYSTEINE | A | 2BV5 | 0.73 | |
SCY | S-ACETYL-CYSTEINE | A,B,C,D | 1M4S | 0.73 | |
ML3 | 2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}- N,N,N-trimethylethanaminium | F | 3C1B | 0.72 | |
CBH | S-(D-CARBOXYBUTYL)-L-HOMOCYSTEINE | A,B | 1LT8 | 0.76 | |
CS0 | S-(2-HYDROXYETHYL)-L-CYSTEINE | A | 1ASV | 0.74 | |
SMC | S-METHYLCYSTEINE | A,B,C,E,F,H, I,J,K,M,O,P, R,T,V,W | 1UZD | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2VDI | 0.71 | |
SMC | S-METHYLCYSTEINE | A | 1U8B | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2VDH | 0.71 | |
SMC | S-METHYLCYSTEINE | A | 1FQ4 | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,C,D,E,F | 1HBO | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2V63 | 0.71 | |
SMC | S-METHYLCYSTEINE | I | 1E82 | 0.71 | |
SMC | S-METHYLCYSTEINE | I | 1E81 | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,C,E,H,I, J,K,M,O,P,R, T,V,W | 1UW9 | 0.71 | |
SMC | S-METHYLCYSTEINE | A | 1LFO | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,D,E,H,K, O,R,V | 1UWA | 0.71 | |
SMC | S-METHYLCYSTEINE | A,C,D,F | 1MRO | 0.71 | |
SMC | S-METHYLCYSTEINE | 1,2,3,4,5,6, 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 | 1IR2 | 0.71 | |
SMC | S-METHYLCYSTEINE | A | 1ZGW | 0.71 | |
SMC | S-METHYLCYSTEINE | E,I | 1EPN | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,C | 2OB2 | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2V67 | 0.71 | |
SMC | S-METHYLCYSTEINE | P | 1CZI | 0.71 | |
SMC | S-METHYLCYSTEINE | A,C,D,F | 1E6Y | 0.71 | |
SMC | S-METHYLCYSTEINE | A,I | 1GVT | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,C,D,E,F | 1HBM | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2V68 | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,C,E,F,H, J,K,M,O,P,R, T,V,W | 1UZH | 0.71 | |
SMC | S-METHYLCYSTEINE | A | 1EH7 | 0.71 | |
SMC | S-METHYLCYSTEINE | A,C,E,G,I,K, M,O | 1GK8 | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2V6A | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2V69 | 0.71 | |
SMC | S-METHYLCYSTEINE | A | 1WPK | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,C,D,E,F | 1HBN | 0.71 | |
SMC | S-METHYLCYSTEINE | A,B,C,D,E,F | 1HBU | 0.71 | |
MT2 | [(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium | A | 3C8F | 0.75 | |
CMT | O-METHYLCYSTEINE | G | 1OMW | 0.74 | |
CMT | O-METHYLCYSTEINE | A,G | 3CIK | 0.74 | |
CMT | O-METHYLCYSTEINE | A | 1DOA | 0.74 | |
GT9 | S-NONYL-CYSTEINE | A,B,C,D | 12GS | 0.75 | |
BSC | (S)-2-AMINO-4-(AMINO-BUTYLHYDROSULFINYL)BUTANOIC ACID | A,B,C,D,E,F, G,H | 2GWC | 0.71 | |
CY4 | S-BUTYRYL-CYSTEIN | A,B,C,D | 1M4T | 0.72 | |
CCS | CARBOXYMETHYLATED CYSTEINE | E | 1STF | 0.7 | |
CCS | CARBOXYMETHYLATED CYSTEINE | A,B,C,D,E,F | 1GTI | 0.7 | |
CCS | CARBOXYMETHYLATED CYSTEINE | A,B | 2BJ4 | 0.7 | |
CCS | CARBOXYMETHYLATED CYSTEINE | A,B | 2JFA | 0.7 | |
CCS | CARBOXYMETHYLATED CYSTEINE | G,R | 1DSS | 0.7 | |
CCS | CARBOXYMETHYLATED CYSTEINE | A,B | 1L2I | 0.7 | |
CCS | CARBOXYMETHYLATED CYSTEINE | A,B,C,D | 3DMT | 0.7 | |
CCS | CARBOXYMETHYLATED CYSTEINE | A,B | 1ERR | 0.7 | |
CCS | CARBOXYMETHYLATED CYSTEINE | A | 2JX4 | 0.7 | |
M2L | (2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid | A | 2K3Y | 0.7 | |
M2L | (2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid | A,E | 3C1C | 0.7 | |
M0H | S-(HYDROXYMETHYL)-L-CYSTEINE | A | 2PFG | 0.7 | |
SLZ | L-THIALYSINE | A,B,D,E,F | 2O6V | 0.7 | |
SLZ | L-THIALYSINE | A,B,D | 2J9K | 0.7 | |
SLZ | L-THIALYSINE | L | 1BM2 | 0.7 | |
SLZ | L-THIALYSINE | X | 3DIG | 0.7 | |
SLZ | L-THIALYSINE | A,B,C | 2J9J | 0.7 | |
S2C | S-2-(BORONOETHYL)-L-CYSTEINE | A,B | 1HQ5 | 0.7 | |
S2C | S-2-(BORONOETHYL)-L-CYSTEINE | A,B,C | 3E9B | 0.7 | |
S2C | S-2-(BORONOETHYL)-L-CYSTEINE | A,B | 1P8R | 0.7 | |
S2C | S-2-(BORONOETHYL)-L-CYSTEINE | A,B | 1WVA | 0.7 | |
S2C | S-2-(BORONOETHYL)-L-CYSTEINE | A,B,C,D,E,F | 1PQ3 | 0.7 | |
S2C | S-2-(BORONOETHYL)-L-CYSTEINE | A,B | 1WVB | 0.7 | |
MED | D-METHIONINE | A | 1Y9Q | 0.72 | |
MED | D-METHIONINE | A,B | 2Q33 | 0.72 | |
MED | D-METHIONINE | A | 1ZUE | 0.72 | |
MED | D-METHIONINE | A | 1KQ0 | 0.72 | |
MED | D-METHIONINE | A,B | 3GP4 | 0.72 | |
MED | D-METHIONINE | A | 1TKJ | 0.72 | |
CSA | S-ACETONYLCYSTEINE | A,B | 1DWQ | 0.71 |