MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02213294

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
BLA	BILIVERDINE IX ALPHA	A	1HE2	0.73
BLA	BILIVERDINE IX ALPHA	A	1ZTU	0.73
BLA	BILIVERDINE IX ALPHA	A	2D1E	0.73
BLA	BILIVERDINE IX ALPHA	A,B	2C7J	0.73
BLA	BILIVERDINE IX ALPHA	A,B,K,L	1EYX	0.73
BLA	BILIVERDINE IX ALPHA	A	1BVC	0.73
BLA	BILIVERDINE IX ALPHA	A,B	1KTP	0.73
BLA	BILIVERDINE IX ALPHA	A,B	2C7K	0.73
BLA	BILIVERDINE IX ALPHA	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	2UUL	0.73
BLA	BILIVERDINE IX ALPHA	A	1S8C	0.73
BLA	BILIVERDINE IX ALPHA	A,B,C,D,E,F, G,H	3C2W	0.73
BLA	BILIVERDINE IX ALPHA	A,B	2C7L	0.73
BLA	BILIVERDINE IX ALPHA	A,B,C,D	2VGR	0.73
BLA	BILIVERDINE IX ALPHA	A	1J2C	0.73
BLA	BILIVERDINE IX ALPHA	A,B	3BRP	0.73
BLA	BILIVERDINE IX ALPHA	A	1BVD	0.73
BLA	BILIVERDINE IX ALPHA	A,B,K,L,M,N	1F99	0.73
BLA	BILIVERDINE IX ALPHA	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	2UUM	0.73
BLA	BILIVERDINE IX ALPHA	A,B	2VUE	0.73
BLA	BILIVERDINE IX ALPHA	A,B,C,D,E,F, H,I,J,K,L,M	1B33	0.73
BLA	BILIVERDINE IX ALPHA	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	2UUN	0.73
BLA	BILIVERDINE IX ALPHA	A,B,C,D	2VCK	0.73
BH1	BACTERIOPHEOPHYTIN	H,L,M	2BOZ	0.74
BH1	BACTERIOPHEOPHYTIN	A,B	2BNS	0.74
BH1	BACTERIOPHEOPHYTIN	A,B	2BNP	0.74
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,D,F,G,H, J,K,L,N,O,P	2GC4	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,H,L,M	2J55	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2Q7Q	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,G	1JMZ	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,E,G,I	2H47	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MG2	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,D,F,H,J,L, N,P	2GC7	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2OJY	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2IUP	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGX	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,D,H	2HJ4	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2HKR	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGZ	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,E,F	2H3X	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,D,H	2IUQ	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,G	1JMX	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,D,H	2HJB	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,C,H,L	2MTA	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,D,H	2OIZ	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,L,M	3C75	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AH0	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,C	1JJU	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,L,M	1MDA	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2HKM	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGY	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	L,M	2BBK	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	L	2MAD	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGL	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,E	2IAA	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AH1	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.72
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.72
LBV		A	2O9B	0.71
LBV		A,B	2OOL	0.71
LBV		A	2O9C	0.71
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.73
DPY		A,B	1JES	0.71
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.74
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	1GH0	0.72
CYC	PHYCOCYANOBILIN	A,B	2VJR	0.72
CYC	PHYCOCYANOBILIN	A,B,K,L,M,N	1F99	0.72
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, H,I,J,K,L,M	1B33	0.72
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	2UUM	0.72
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	2UUN	0.72
CYC	PHYCOCYANOBILIN	A,B	2C7L	0.72
CYC	PHYCOCYANOBILIN	A,B,K,L	1CPC	0.72
CYC	PHYCOCYANOBILIN	A,B	1JBO	0.72
CYC	PHYCOCYANOBILIN	A,B	1I7Y	0.72
CYC	PHYCOCYANOBILIN	A,B	1ON7	0.72
CYC	PHYCOCYANOBILIN	A,B,K,L	1EYX	0.72
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	1HA7	0.72
CYC	PHYCOCYANOBILIN	A,B	1ALL	0.72
CYC	PHYCOCYANOBILIN	A,B	1KTP	0.72
CYC	PHYCOCYANOBILIN	A,B	2C7K	0.72
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V,W,X	2UUL	0.72
CYC	PHYCOCYANOBILIN	A	2VEA	0.72
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, G,H,I,J,K,L	2VML	0.72
CYC	PHYCOCYANOBILIN	A	2K2N	0.72
CYC	PHYCOCYANOBILIN	A,B	2VJT	0.72
CYC	PHYCOCYANOBILIN	A,B	1PHN	0.72
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, G,H	3DBJ	0.72
CYC	PHYCOCYANOBILIN	A,B	2G9M	0.72
CYC	PHYCOCYANOBILIN	A,B	1KN1	0.72
CYC	PHYCOCYANOBILIN	A,B,K,L	1LIA	0.72
CYC	PHYCOCYANOBILIN	A,B,C,D,E,F, K,L,M,N,O,P	2BV8	0.72
CYC	PHYCOCYANOBILIN	A,B	2C7J	0.72
CYC	PHYCOCYANOBILIN	A,B	2V8A	0.72
MBV	MESOBILIVERDIN IV ALPHA	A	1HE3	0.73
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	3PRC	0.71
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	6PRC	0.71
BPB	BACTERIOPHEOPHYTIN B	H,L,M	1RY5	0.71
BPB	BACTERIOPHEOPHYTIN B	H,L,M	1RZH	0.71
BPB	BACTERIOPHEOPHYTIN B	L,M,R,S	1RZZ	0.71
BPB	BACTERIOPHEOPHYTIN B	L,M,R,S	1S00	0.71
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	2JBL	0.71
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	1VRN	0.71
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	7PRC	0.71
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	2PRC	0.71
BPB	BACTERIOPHEOPHYTIN B	H,L,M	1UMX	0.71
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	1R2C	0.71
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	3D38	0.71
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	2I5N	0.71
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	5PRC	0.71
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	1PRC	0.71
BPB	BACTERIOPHEOPHYTIN B	H,L,M	1RVJ	0.71
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M,U	1DXR	0.71
MOC	CARBAMIC ACID 2,6-DIAMINO-5-METHYL- 4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H- 3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER	A	199D	0.72
CBB	1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER	B	1LPK	0.73
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1RG5	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UWT	0.71
BPH	BACTERIOPHEOPHYTIN A	1,2,3,5,6,7, 8,A,B,D,E,F, G,H,I,J,K,L, M,N,P,R,S,T, U,V,W,Y	1PYH	0.71
BPH	BACTERIOPHEOPHYTIN A	A,B,C	1Z9K	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UXK	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1RY5	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1RZH	0.71
BPH	BACTERIOPHEOPHYTIN A	C,H,L,M	1EYS	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UWS	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	4RCR	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1K6N	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1YF6	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UX5	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	3DTS	0.71
BPH	BACTERIOPHEOPHYTIN A	C	1E14	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	3DTA	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1PST	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1KBY	0.71
BPH	BACTERIOPHEOPHYTIN A	C,H,L,M	1L9B	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	2RCR	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1PCR	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1M3X	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2HJ6	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M,R,S,T	1DS8	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1FNQ	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UXJ	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1QOV	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	3DU3	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UX4	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M,R,S	1AIJ	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M,N,O	1AIG	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1RGN	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1JGX	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UWV	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1RQK	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M,R,S,T	1DV6	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UWW	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M,R,S	1RZZ	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M,R,S	1S00	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2HG3	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UX3	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1OGV	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	3DUQ	0.71
BPH	BACTERIOPHEOPHYTIN A	A,B	1Z9J	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2GNU	0.71
BPH	BACTERIOPHEOPHYTIN A	C	1E6D	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1MPS	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M,X	2UXM	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1RVJ	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UXL	0.71
BPH	BACTERIOPHEOPHYTIN A	C,D,L,M,R,S	1L9J	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	2JJ0	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1JH0	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2GMR	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	3DU2	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1PSS	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2HG9	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2HIT	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2JIY	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UWU	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1JGZ	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2J8C	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M,R,S,T	1DV3	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	3DSY	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1F6N	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1FNP	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1K6L	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2HHK	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1JGW	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2J8D	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1YST	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	3DTR	0.71
BPH	BACTERIOPHEOPHYTIN A	L,M	1JGY	0.71
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2HH1	0.71
DBV	15,16-DIHYDROBILIVERDIN	A,B,C,D	1XF6	0.7
DBV	15,16-DIHYDROBILIVERDIN	A,B,C,D	1QGW	0.7
DBV	15,16-DIHYDROBILIVERDIN	A,B,C,D	1XG0	0.7
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2I0T	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	A,B,C,D,K,L, M,N	2J57	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2OK4	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2IUR	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2AGW	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	A,B,H,L,M	2J56	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2IUV	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2OK6	0.71
PBG	3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)- 1H-PYRROL-3-YL]PROPANOIC ACID	A,B	1E51	0.72
PBG	3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)- 1H-PYRROL-3-YL]PROPANOIC ACID	A	1OHL	0.72